Sugi Predict

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SCHEMBL2963098

SCHEMBL2963098

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.55
▸ S1PR3 Q99500 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ SPHK2 Q9NRA0 1/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ BCL2 P10415 2/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ PRKX P51817 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ CYP4F2 P78329 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
SCHEMBL13240189 0.96 S1PR1 (0.55) S1PR1S1PR3PDK1PDK2PDK3
SCHEMBL2963654 0.95 S1PR1 (0.52) S1PR1S1PR3PDK1PDK2PDK3
SCHEMBL1563504 0.95 S1PR1 (0.52) S1PR1S1PR3PDK1PDK2PDK3
SCHEMBL2961626 0.95 S1PR1 (0.59) S1PR1S1PR3PDK1PDK2PDK3
SCHEMBL1563117 0.95 S1PR1 (0.52) S1PR1S1PR3PDK1PDK2PDK3
SCHEMBL2968772 0.92 S1PR1 (0.51) S1PR1S1PR3PDK1PDK2PDK3
SCHEMBL14015264 0.91 S1PR1 (0.58) S1PR1S1PR3PDK1PDK2PDK3
SCHEMBL1562444 0.90 S1PR1 (0.55) S1PR1S1PR3PDK1PDK2PDK3
SCHEMBL1563356 0.89 S1PR1 (0.59) S1PR1S1PR3PDK1PDK2PDK3
SCHEMBL13259318 0.89 S1PR1 (0.52) S1PR1S1PR3PDK1PDK2PDK3

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 6 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-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-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 (2 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-20060135622-A1 Amino alcohol derivative, addition salt thereof, and immunosuppressant AADAT, BCAT2, ADH1A S1PR1 958/4885S1PR3 1530/4885PDK1 996/4885
US-20090156653-A1 Amino alcohol derivatives, salts thereof and immunosuppresive agents ADH1A, TPMT, AADAT S1PR1 703/4885S1PR3 1305/4885PDK1 761/4885

“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.