SCHEMBL9922091

SCHEMBL9922091

CS(=O)(=O)c1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1Cl)C(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 5/20 0.42
P2RY12 Q9H244 5/20 0.40
KCNA1 Q09470 4/20 0.38
KCNAB1 Q14722 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FBP1 P09467 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL9922277 0.93 P2RY12 (0.43) GRM1P2RY12KCNA1KCNAB1MEN1
SCHEMBL9922591 0.92 GRM1 (0.41) GRM1P2RY12KCNA1KCNAB1MEN1
SCHEMBL9922593 0.91 GRM1 (0.43) GRM1P2RY12KCNA1KCNAB1MEN1
SCHEMBL9922794 0.90 P2RY12 (0.44) P2RY12KCNA1KCNAB1MEN1KMT2A
SCHEMBL9922094 0.88 GRM1 (0.42) GRM1P2RY12KCNA1KCNAB1MEN1
SCHEMBL9922592 0.88 MEN1 (0.46) GRM1P2RY12KCNA1KCNAB1MEN1
SCHEMBL9922103 0.88 KMT2A (0.46) GRM1P2RY12KCNA1KCNAB1MEN1
SCHEMBL9922097 0.88 GRM1 (0.42) GRM1P2RY12MEN1KMT2ASMN1; SMN2
SCHEMBL9922315 0.87 GRM1 (0.54) GRM1P2RY12MEN1KMT2AFBP1
SCHEMBL9922473 0.87 FBP1 (0.41) P2RY12MEN1KMT2AFBP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 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 (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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 GRM1 2651/4885P2RY12 19/4885KCNA1 1233/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 GRM1 2094/4885P2RY12 89/4885KCNA1 1670/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 GRM1 2621/4885P2RY12 18/4885KCNA1 1257/4885

“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.