SCHEMBL9922898

SCHEMBL9922898

O=C(Nc1ccc(-n2cc(-c3ccccc3)ccc2=O)nc1)NS(=O)(=O)c1ccc(F)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.38
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
CA9 Q16790 7/20 0.38
CHRNA7 P36544 1/20 0.38
FBP1 P09467 2/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
P2RY12 Q9H244 1/20 0.33
MAPT P10636 1/20 0.32
EPHX2 P34913 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL9922314 0.90 FBP1 (0.46) CA12CA1CA2CA9CHRNA7
SCHEMBL9922873 0.79 P2RY12 (0.38) CA12CA1CA2CA9FBP1
SCHEMBL9923098 0.77 P2RY12 (0.45) CA12CA1CA2CA9FBP1
SCHEMBL9923246 0.74 P2RY12 (0.40) CA12CA1CA2CA9FBP1
SCHEMBL9923247 0.74 P2RY12 (0.40) CA12CA1CA2CA9FBP1
SCHEMBL9922805 0.74 P2RY12 (0.41) FBP1P2RY12MAPTMEN1KMT2A
SCHEMBL12161620 0.74 P2RY12 (0.38) CA12CA1CA2CA9FBP1
SCHEMBL9922415 0.74 GRM1 (0.37) CA12CA1CA2CA9FBP1
SCHEMBL9922223 0.73 P2RY12 (0.39) CA12CA1CA2CA9FBP1
SCHEMBL12161630 0.73 P2RY12 (0.39) CA12CA1CA2CA9FBP1

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-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-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-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 (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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 CA12 4625/4885CA1 4531/4885CA2 2120/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 CA12 4616/4885CA1 4517/4885CA2 2119/4885

“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.