SCHEMBL9922957

SCHEMBL9922957

O=C(Nc1ccc(-n2cc(-c3ccccc3)ccc2=O)cc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.46
PTGER3 P43115 8/20 0.38
CNR1 P21554 4/20 0.37
P2RY12 Q9H244 1/20 0.37
FBP1 P09467 1/20 0.36
OGT O15294 2/20 0.36
MAPK14 Q16539 1/20 0.36
ACP1 P24666 1/20 0.35
GRIK1 P39086 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
SCHEMBL9923098 0.87 P2RY12 (0.45) CNR1P2RY12FBP1OGTACP1
SCHEMBL12161546 0.79 ESRRA (0.43) ACLYPTGER3P2RY12MAPK14
SCHEMBL9922805 0.78 P2RY12 (0.41) CNR1P2RY12FBP1
SCHEMBL9922314 0.74 FBP1 (0.46) CNR1P2RY12FBP1
SCHEMBL9922207 0.72 CASP6 (0.44) PTGER3
SCHEMBL12161522 0.72 P2RY12 (0.44) ACLYPTGER3P2RY12FBP1
SCHEMBL13638573 0.72 P2RY12 (0.43) PTGER3P2RY12FBP1
SCHEMBL12161536 0.72 P2RY12 (0.43) PTGER3P2RY12FBP1MAPK14
SCHEMBL12161534 0.71 MAPT (0.47) P2RY12
SCHEMBL9922785 0.71 ESRRA (0.42) P2RY12

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 ACLY 1047/4885PTGER3 97/4885CNR1 264/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 ACLY 1038/4885PTGER3 97/4885CNR1 253/4885

“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.