SCHEMBL1029129

SCHEMBL1029129

OCc1cc(-c2ccccc2)c(C(F)(F)F)s1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.52
S1PR1 P21453 17/20 0.50
S1PR5 Q9H228 14/20 0.49
S1PR4 O95977 12/20 0.49
S1PR3 Q99500 9/20 0.48
ALOX15 P16050 1/20 0.44
CYP2A6 P11509 1/20 0.41
C1S P09871 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
SCHEMBL3901410 0.85 S1PR1 (0.49) PLK1S1PR1S1PR5S1PR4S1PR3
SCHEMBL10112445 0.85 PLK1 (0.51) PLK1S1PR1S1PR5S1PR4S1PR3
SCHEMBL10088967 0.83 S1PR1 (0.42) PLK1S1PR1S1PR5S1PR4S1PR3
SCHEMBL5988215 0.82 PLK1 (0.49) PLK1S1PR1S1PR5S1PR4S1PR3
SCHEMBL4949657 0.80 S1PR1 (0.67) PLK1S1PR1S1PR5S1PR4S1PR3
SCHEMBL12956546 0.79 S1PR1 (0.46) PLK1S1PR1S1PR5S1PR4S1PR3
SCHEMBL2538238 0.76 PLK1 (0.47) PLK1S1PR1S1PR5S1PR4S1PR3
SCHEMBL8423071 0.75 PLK1 (0.55) PLK1S1PR1S1PR5S1PR4S1PR3
SCHEMBL404394 0.75 PLK1 (0.71) PLK1S1PR1S1PR5S1PR4S1PR3
Ammonia Solution, Strong SCHEMBL4951074 0.74 S1PR1 (0.58) PLK1S1PR1S1PR5S1PR4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 EP disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-1581509-B1 1-(AMINO)INDANES AS EDG RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2011-01-19 EP disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-1575964-B1 N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2009-11-11 EP disclosed
EP-1470137-B1 EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2009-09-02 EP disclosed
US-20050070506-A1 Selective s1p1/edg1 receptor agonists DOHERTY GEORGE A (US) 2005-03-31 US disclosed
US-20050033055-A1 Edg receptor agonists MERCK SHARP & DOHME CORP. 2005-02-10 US disclosed
US-20050020837-A1 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as edg receptor agonists MERCK SHARP & DOHME CORP. 2005-01-27 US disclosed
EP-1469863-A2 SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-10-27 EP disclosed
EP-1470137-A1 EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-10-27 EP disclosed
WO-2004058149-A2 1-(AMINO)INDANES AND (1,2-DIHYDRO-3-AMINO)-BENZOFURANS, BENZOTHIOPHENES AND INDOLES MERCK & CO., INC. (US) 2004-07-15 WO disclosed
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists DOHERTY GEORGE A (US) 2004-03-25 US disclosed
WO-2003062252-A1 EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 WO disclosed
WO-2003061567-A2 SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 WO disclosed
WO-2003062248-A2 N-(BENZYL)AMINOALKYLCARBOXYLATES, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 WO 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 (7 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 PLK1 2052/4885S1PR1 3124/4885S1PR5 3686/4885
US-20050070506-A1 Selective s1p1/edg1 receptor agonists S1PR1, S1PR3, S1PR5 PLK1 1119/4885S1PR1 1/4885S1PR5 3/4885
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists S1PR1, S1PR3, S1PR2 PLK1 993/4885S1PR1 1/4885S1PR5 4/4885
US-20050020837-A1 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as edg receptor agonists EDNRA, ADGRE5, GPR65 PLK1 2841/4885S1PR1 286/4885S1PR5 201/4885
US-20050033055-A1 Edg receptor agonists EDNRA, EDNRB, GPR65 PLK1 4451/4885S1PR1 165/4885S1PR5 261/4885
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 PLK1 671/4885S1PR1 3/4885S1PR5 4/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 PLK1 2052/4885S1PR1 3124/4885S1PR5 3686/4885

“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.