SCHEMBL9922965

SCHEMBL9922965

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)c(C)s4)cc3C)c(=O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.52
ERCC1 P07992 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 1/20 0.37
CA12 O43570 7/20 0.36
CA9 Q16790 7/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 2/20 0.35
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
HSP90AA1 P07900 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IDH1 O75874 2/20 0.31
HAVCR2 Q8TDQ0 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
SCHEMBL12161644 0.94 P2RY12 (0.53) P2RY12ERCC1FEN1ERCC4CA12
SCHEMBL9922961 0.92 P2RY12 (0.56) P2RY12ERCC1FEN1ERCC4CA12
SCHEMBL14228487 0.92 P2RY12 (0.54) P2RY12ERCC1FEN1ERCC4CA12
SCHEMBL9922899 0.90 P2RY12 (0.64) P2RY12ERCC1FEN1ERCC4CA12
SCHEMBL9922963 0.90 P2RY12 (0.51) P2RY12ERCC1FEN1ERCC4CA12
SCHEMBL12177347 0.89 P2RY12 (0.54) P2RY12ERCC1FEN1ERCC4CA12
SCHEMBL9922966 0.86 P2RY12 (0.55) P2RY12ERCC1FEN1ERCC4CA12
SCHEMBL13638713 0.86 P2RY12 (0.53) P2RY12ERCC1FEN1ERCC4CA12
SCHEMBL9922532 0.86 P2RY12 (0.47) P2RY12ERCC1FEN1ERCC4CA12
SCHEMBL12161646 0.85 P2RY12 (0.58) P2RY12ERCC1FEN1ERCC4CA12

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 2 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-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 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 (1 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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885ERCC1 4644/4885FEN1 4319/4885

“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.