SCHEMBL2960835

SCHEMBL2960835

CC(=O)OCCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.56
MAOB P27338 5/20 0.46
NR4A2 P43354 3/20 0.42
PRKX P51817 1/20 0.41
ACVR1 Q04771 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MAOA P21397 2/20 0.41
FFAR1 O14842 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
SMPD1 P17405 1/20 0.39

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
SCHEMBL2965628 0.85 MTNR1A (0.46) S1PR1
SCHEMBL1563972 0.84 S1PR1 (0.57) S1PR1MAOBNR4A2PRKXACVR1
SCHEMBL3084328 0.84 S1PR1 (0.55) S1PR1MAOBNR4A2PRKXACVR1
SCHEMBL5505756 0.84 S1PR1 (0.63) S1PR1MAOBNR4A2PRKXACVR1
SCHEMBL1564063 0.83 S1PR1 (0.54) S1PR1MAOBNR4A2PRKXACVR1
SCHEMBL1564052 0.82 S1PR1 (0.61) S1PR1MAOBNR4A2PRKXACVR1
SCHEMBL1563280 0.82 S1PR1 (0.52) S1PR1MAOBNR4A2PRKXACVR1
SCHEMBL2968163 0.82 S1PR1 (0.56) S1PR1NR4A2FFAR1
SCHEMBL1563997 0.82 S1PR1 (0.58) S1PR1MAOBNR4A2PRKXACVR1
SCHEMBL5505536 0.81 S1PR1 (0.58) S1PR1MAOBNR4A2PRKXACVR1

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 958/4885MAOB 3202/4885NR4A2 1780/4885
US-20090156653-A1 Amino alcohol derivatives, salts thereof and immunosuppresive agents ADH1A, TPMT, AADAT S1PR1 703/4885MAOB 2584/4885NR4A2 946/4885

“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.