Sugi Predict

Sugi Predict / Compounds / SCHEMBL2968772

SCHEMBL2968772

SCHEMBL2968772

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.51
▸ S1PR3 Q99500 1/20 0.35
▸ MTNR1A P48039 3/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ HIF1A Q16665 1/20 0.32
▸ BCL2 P10415 2/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL1564193 0.96 S1PR1 (0.54) S1PR1S1PR3CYP2C9PTGER1PDK1
SCHEMBL2963098 0.92 S1PR1 (0.55) S1PR1S1PR3MTNR1AMTNR1BCYP2C9
SCHEMBL1563676 0.91 S1PR1 (0.50) S1PR1S1PR3MTNR1AMTNR1BCYP2C9
SCHEMBL1563102 0.91 S1PR1 (0.49) S1PR1S1PR3MTNR1AMTNR1BCYP2C9
SCHEMBL13259280 0.91 S1PR1 (0.48) S1PR1S1PR3MTNR1AMTNR1BCYP2C9
SCHEMBL13240189 0.90 S1PR1 (0.55) S1PR1S1PR3MTNR1AMTNR1BCYP2C9
SCHEMBL1562429 0.90 S1PR1 (0.49) S1PR1S1PR3MTNR1AMTNR1BFFAR1
SCHEMBL1563504 0.89 S1PR1 (0.52) S1PR1S1PR3MTNR1AMTNR1BCYP2C9
SCHEMBL2963654 0.89 S1PR1 (0.52) S1PR1S1PR3MTNR1AMTNR1BCYP2C9
SCHEMBL1563117 0.88 S1PR1 (0.52) S1PR1S1PR3MTNR1AMTNR1BCYP2C9

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 12 patents. 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
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-20090156653-A1 Amino alcohol derivatives, salts thereof and immunosuppresive agents KOHNO YASUSHI 2009-06-18 — — US 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-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-20060135622-A1 Amino alcohol derivative, addition salt thereof, and immunosuppressant KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 — — US 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 (3 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-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 4/4885MTNR1A 311/4885
US-20060135622-A1 Amino alcohol derivative, addition salt thereof, and immunosuppressant AADAT, BCAT2, ADH1A S1PR1 958/4885S1PR3 1530/4885MTNR1A 3413/4885
US-20090156653-A1 Amino alcohol derivatives, salts thereof and immunosuppresive agents ADH1A, TPMT, AADAT S1PR1 703/4885S1PR3 1305/4885MTNR1A 2992/4885

“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.