SCHEMBL1562467

SCHEMBL1562467

CCOC(=O)C(C)(CCCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl)NC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.50
TRPM8 Q7Z2W7 1/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 1/20 0.35
MAOB P27338 2/20 0.35
EPOR P19235 1/20 0.35
FFAR1 O14842 1/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
PRKX P51817 1/20 0.34

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
SCHEMBL1564097 0.90 S1PR1 (0.51) S1PR1TRPM8PPARGMAOBEPOR
SCHEMBL1562378 0.89 S1PR1 (0.49) S1PR1TRPM8PPARGEPORCYP2D6
SCHEMBL1563306 0.89 S1PR1 (0.52) S1PR1TRPM8PPARGMAOBCYP2D6
SCHEMBL1563421 0.88 S1PR1 (0.55) S1PR1PPARGPPARAMAOBFFAR1
SCHEMBL1562439 0.87 S1PR1 (0.54) S1PR1TRPM8PPARGMAOBFFAR1
SCHEMBL13259200 0.86 S1PR1 (0.55) S1PR1PPARGPPARAMAOBFFAR1
SCHEMBL1563293 0.86 S1PR1 (0.53) S1PR1PPARGPPARAMAOBFFAR1
SCHEMBL1563324 0.85 S1PR1 (0.57) S1PR1MAOBEPORFFAR1CYP2D6
SCHEMBL1563313 0.85 S1PR1 (0.56) S1PR1PPARGMAOBFFAR1CYP2D6
SCHEMBL1563281 0.85 S1PR1 (0.53) S1PR1PPARGPPARAMAOBFFAR1

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 21 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-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-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 1/4885TRPM8 1426/4885PPARG 1309/4885
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 1/4885TRPM8 1426/4885PPARG 1309/4885
US-20060135622-A1 Amino alcohol derivative, addition salt thereof, and immunosuppressant AADAT, BCAT2, ADH1A S1PR1 958/4885TRPM8 3457/4885PPARG 2366/4885
US-20090156653-A1 Amino alcohol derivatives, salts thereof and immunosuppresive agents ADH1A, TPMT, AADAT S1PR1 703/4885TRPM8 3907/4885PPARG 2154/4885

“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.