SCHEMBL9922100

SCHEMBL9922100

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(=O)[nH]c4ccc(S)cc4c3=O)nc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.48
CA12 O43570 5/20 0.33
CA9 Q16790 5/20 0.33
KIT P10721 3/20 0.33
ERCC1 P07992 1/20 0.33
DNASE1 P24855 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
FBP1 P09467 1/20 0.33

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
SCHEMBL12177086 0.91 P2RY12 (0.56) P2RY12CA12CA9KITERCC1
SCHEMBL12706582 0.88 P2RY12 (0.46) P2RY12CA12CA9KITCA1
SCHEMBL14113574 0.88 P2RY12 (0.59) P2RY12CA12CA9KITERCC1
SCHEMBL9922446 0.87 P2RY12 (0.53) P2RY12CA12CA9KITERCC1
SCHEMBL9922096 0.85 P2RY12 (0.47) P2RY12CA12CA9KITERCC1
SCHEMBL13638699 0.85 P2RY12 (0.47) P2RY12CA12CA9KITERCC1
SCHEMBL12177266 0.85 KMT2A (0.37) P2RY12CA12CA9CA1CA2
SCHEMBL9922043 0.84 P2RY12 (0.53) P2RY12CA12CA9KITERCC1
SCHEMBL14113676 0.83 P2RY12 (0.48) P2RY12CA12CA9KITERCC1
SCHEMBL13638700 0.83 P2RY12 (0.47) P2RY12CA12CA9KITERCC1

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 18/4885CA12 4616/4885CA9 1974/4885

“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.