SCHEMBL9922182

SCHEMBL9922182

O=C(Nc1ccc(N2C(=O)Cc3ccc(S)cc3C2=O)nc1)NS(=O)(=O)c1ccc(F)s1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
FBP1 P09467 1/20 0.33
P2RY12 Q9H244 1/20 0.32
GRM1 Q13255 2/20 0.31
GRM4 Q14833 1/20 0.31
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL9922213 0.93 CA12 (0.36) CA12CA1CA2CA9FBP1
SCHEMBL9922209 0.91 CA12 (0.36) CA12CA1CA2CA9FBP1
SCHEMBL14113605 0.91 FBP1 (0.42) CA12CA1CA2CA9FBP1
SCHEMBL14113602 0.90 BRD4 (0.35) CA12CA1CA2CA9FBP1
SCHEMBL13638706 0.90 MEN1 (0.36) CA12CA1CA2CA9FBP1
SCHEMBL12177301 0.90 CA12 (0.33) CA12CA1CA2CA9FBP1
SCHEMBL9922214 0.90 FBP1 (0.36) CA12CA1CA2CA9FBP1
SCHEMBL9922210 0.89 CA12 (0.41) CA12CA1CA2CA9
SCHEMBL9922211 0.89 MAPT (0.35) CA12CA1CA2CA9FBP1
SCHEMBL14228254 0.89 FPR2 (0.36) 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 5 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-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-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.