SCHEMBL1563313

SCHEMBL1563313

CCOC(=O)C(CC)(CCCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.56
S1PR3 Q99500 1/20 0.37
MAOB P27338 2/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
PRKX P51817 1/20 0.36
ACVR1 Q04771 1/20 0.36
S1PR5 Q9H228 1/20 0.36
FFAR1 O14842 1/20 0.36
NR4A2 P43354 2/20 0.36
CYP2D6 P10635 1/20 0.36
PPARG P37231 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1563116 0.97 S1PR1 (0.55) S1PR1S1PR3MAOBLTB4RLTB4R2
SCHEMBL1564081 0.96 S1PR1 (0.61) S1PR1S1PR3MAOBLTB4RLTB4R2
SCHEMBL1563281 0.94 S1PR1 (0.53) S1PR1S1PR3MAOBLTB4RLTB4R2
SCHEMBL1564076 0.92 S1PR1 (0.59) S1PR1S1PR3MAOBLTB4RLTB4R2
SCHEMBL13259200 0.91 S1PR1 (0.55) S1PR1S1PR3MAOBLTB4RLTB4R2
SCHEMBL1563421 0.90 S1PR1 (0.55) S1PR1MAOBLTB4RLTB4R2PRKX
SCHEMBL1563293 0.89 S1PR1 (0.53) S1PR1MAOBLTB4RLTB4R2PRKX
SCHEMBL1564022 0.87 S1PR1 (0.58) S1PR1S1PR3MAOBLTB4RLTB4R2
SCHEMBL1564097 0.86 S1PR1 (0.51) S1PR1S1PR3MAOBLTB4RLTB4R2
SCHEMBL1564063 0.86 S1PR1 (0.54) S1PR1MAOBLTB4RLTB4R2PRKX

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2617711-A1 Amino alcohol derivatives, salts thereof and immunosuppressive agents Kyorin Pharmaceutical Co., Ltd. (JP) 2013-07-24 EP disclosed
EP-2617711-A1 Amino alcohol derivatives, salts thereof and immunosuppressive agents Kyorin Pharmaceutical Co., Ltd. (JP) 2013-07-24 EP disclosed
EP-2172472-B1 Aminophosphonic acid derivative, salt thereof and modulator of S1P receptor KYORIN SEIYAKU KK (JP) 2012-12-26 EP disclosed
EP-1602660-B1 AMINOPHOSPHONIC ACID DERIVATIVES, ADDITION SALTS THEREOF AND S1P RECEPTOR MODULATORS KYORIN SEIYAKU KK (JP) 2011-04-06 EP disclosed
US-7763752-B2 Amino alcohol derivatives, salts thereof and immunosuppresive agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-7763752-B2 Amino alcohol derivatives, salts thereof and immunosuppresive agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-7759326-B2 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 US disclosed
US-7759326-B2 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 US disclosed
EP-2172472-A2 Aminophosphonic acid derivative, salt thereof and modulator of S1P receptor Kyorin Pharmaceutical Co., Ltd. (JP) 2010-04-07 EP disclosed
US-20090156653-A1 Amino alcohol derivatives, salts thereof and immunosuppresive agents KOHNO YASUSHI 2009-06-18 US disclosed
US-7482491-B2 Amino alcohol derivative, addition salt thereof, and immunosuppressant KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-01-27 US disclosed
US-7456157-B2 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-11-25 US disclosed
US-7456157-B2 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-11-25 US disclosed
US-7456157-B2 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-11-25 US disclosed
US-20080275008-A1 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KOHNO YASUSHI 2008-11-06 US disclosed
US-20080275008-A1 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KOHNO YASUSHI 2008-11-06 US disclosed
US-20060160771-A1 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-07-20 US disclosed
US-20060135622-A1 Amino alcohol derivative, addition salt thereof, and immunosuppressant KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 US disclosed
EP-1602660-A1 AMINOPHOSPHONIC ACID DERIVATIVES, ADDITION SALTS THEREOF AND S1P RECEPTOR MODULATORS Kyorin Pharmaceutical Co., Ltd. (JP) 2005-12-07 EP disclosed
EP-1548003-A1 AMINO ALCOHOL DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT Kyorin Pharmaceutical Co., Ltd. (JP) 2005-06-29 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060160771-A1 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR3 4/4885MAOB 3819/4885
US-20080275008-A1 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR3 4/4885MAOB 3819/4885
US-20060135622-A1 Amino alcohol derivative, addition salt thereof, and immunosuppressant AADAT, BCAT2, ADH1A S1PR1 958/4885S1PR3 1530/4885MAOB 3202/4885
US-20090156653-A1 Amino alcohol derivatives, salts thereof and immunosuppresive agents ADH1A, TPMT, AADAT S1PR1 703/4885S1PR3 1305/4885MAOB 2584/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.