SCHEMBL9923255

SCHEMBL9923255

CNc1ccc2c(=O)c(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)coc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.47
CA12 O43570 6/20 0.39
CA9 Q16790 6/20 0.39
CA1 P00915 3/20 0.39
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
CA2 P00918 2/20 0.38
FBP1 P09467 1/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
HTT P42858 3/20 0.33
RECQL P46063 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALDH2 P05091 1/20 0.32
POLB P06746 1/20 0.32
IDH1 O75874 1/20 0.32
MAOB P27338 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32

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
SCHEMBL12177435 0.92 CA12 (0.41) P2RY12CA12CA9CA1MEN1
SCHEMBL9922218 0.92 P2RY12 (0.43) P2RY12CA12CA9CA1MEN1
SCHEMBL13182851 0.91 CA12 (0.43) P2RY12CA12CA9CA1MEN1
SCHEMBL9922652 0.90 P2RY12 (0.44) P2RY12CA12CA9CA1MEN1
SCHEMBL9922907 0.88 P2RY12 (0.46) P2RY12CA12CA9CA1MEN1
SCHEMBL12161718 0.84 P2RY12 (0.54) P2RY12CA12CA9CA1MEN1
SCHEMBL9922650 0.84 FBP1 (0.42) P2RY12CA12CA9CA1MEN1
SCHEMBL9922624 0.81 MAOB (0.42) P2RY12CA12CA9CA1MEN1
SCHEMBL12177419 0.79 ALDH2 (0.41) CA12CA9CA1MEN1KMT2A
SCHEMBL9923262 0.78 P2RY12 (0.48) 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 10 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-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-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
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 P2RY12 19/4885CA12 4625/4885CA9 1968/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 P2RY12 89/4885CA12 4701/4885CA9 1451/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885CA12 4616/4885CA9 1974/4885

“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.