SCHEMBL9922197

SCHEMBL9922197

O=C(Nc1ccc(N2C(=O)Cc3ccc(Cl)cc3C2=O)cc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 16/20 0.44
CASP6 P55212 1/20 0.38
KCNA1 Q09470 1/20 0.37
KCNAB1 Q14722 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36
PTGIR P43119 1/20 0.36
LGALS8 O00214 1/20 0.36
LGALS3 P17931 1/20 0.36
P2RY12 Q9H244 1/20 0.36

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
SCHEMBL9922192 0.95 PTGER3 (0.44) PTGER3CASP6KCNA1KCNAB1PTGER1
SCHEMBL9922381 0.92 PTGER3 (0.38) PTGER3LGALS8LGALS3P2RY12
SCHEMBL9922375 0.92 PTGER3 (0.40) PTGER3CASP6PTGER4PTGER2PTGIR
SCHEMBL9922207 0.91 CASP6 (0.44) PTGER3CASP6PTGER1PTGER4PTGER2
SCHEMBL9922406 0.91 CA2 (0.39) PTGER3
SCHEMBL9922407 0.90 PTGER3 (0.46) PTGER3P2RY12
SCHEMBL9922376 0.89 P2RY12 (0.42) PTGER3PTGER1PTGER4PTGER2PTGIR
SCHEMBL9922203 0.89 P2RY12 (0.40) PTGER3KCNA1KCNAB1P2RY12
SCHEMBL9922072 0.88 P2RY12 (0.45) PTGER3CASP6KCNA1KCNAB1P2RY12
SCHEMBL9922365 0.88 PTGER3 (0.40) PTGER3

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 8 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-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 PTGER3 97/4885CASP6 1824/4885KCNA1 1233/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 PTGER3 97/4885CASP6 1814/4885KCNA1 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.