SCHEMBL9922338

SCHEMBL9922338

CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.39
PPARG P37231 2/20 0.33
GRM1 Q13255 3/20 0.33
NAMPT P43490 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
CA12 O43570 6/20 0.32
CA9 Q16790 6/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
EPHX2 P34913 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
SCHEMBL9922336 0.91 P2RY12 (0.48) P2RY12PPARGGRM1MAPT
SCHEMBL12177212 0.87 P2RY12 (0.34) P2RY12NAMPTMAPTBRD4CREBBP
SCHEMBL12177245 0.87 P2RY12 (0.38) P2RY12TP53MAPTBRD4CREBBP
SCHEMBL14228346 0.87 P2RY12 (0.39) P2RY12EPHX2
SCHEMBL13638502 0.86 RAB9A (0.42) P2RY12PPARGNAMPTMAPTBRD4
SCHEMBL9922887 0.84 P2RY12 (0.49) P2RY12PPARGMAPT
SCHEMBL12177640 0.84 ESR1 (0.39) P2RY12PPARGNAMPTMAPT
SCHEMBL14228568 0.83 P2RY12 (0.39) P2RY12PPARGNAMPTBRD4CREBBP
SCHEMBL14113531 0.83 P2RY12 (0.39) P2RY12PPARGNAMPTTP53BRD4
SCHEMBL4687896 0.82 P2RY12 (0.45) P2RY12PPARGNAMPTTP53MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 US 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 (1 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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885PPARG 301/4885GRM1 2621/4885

“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.