SCHEMBL9922845

SCHEMBL9922845

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3ccc4cc5c(cc4c3=O)CN(C)C5)nc2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
P2RY12 Q9H244 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
FBP1 P09467 2/20 0.33
KCNA1 Q09470 1/20 0.33
KCNAB1 Q14722 1/20 0.33
NLRP3 Q96P20 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
RAB9A P51151 2/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL12160956 0.92 FBP1 (0.41) P2RY12FBP1RAB9AMEN1KMT2A
SCHEMBL9922863 0.91 P2RY12 (0.35) P2RY12L3MBTL1FBP1KCNA1KCNAB1
SCHEMBL9922795 0.88 P2RY12 (0.38) BRD4CREBBPP2RY12KCNA1KCNAB1
SCHEMBL9922075 0.84 BRD4 (0.38) BRD4CREBBPP2RY12KCNA1KCNAB1
SCHEMBL12177229 0.84 BRD4 (0.38) BRD4CREBBPP2RY12KCNA1KCNAB1
SCHEMBL12177212 0.84 P2RY12 (0.34) BRD4CREBBPP2RY12FBP1NLRP3
SCHEMBL14228637 0.83 CHRM5 (0.34) P2RY12L3MBTL1FBP1CA12CA1
SCHEMBL13638697 0.83 P2RY12 (0.35) P2RY12L3MBTL1FBP1CA12CA1
SCHEMBL14113530 0.83 P2RY12 (0.35) P2RY12L3MBTL1FBP1CA12CA1
SCHEMBL9922927 0.82 HRH3 (0.36) 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 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 BRD4 3064/4885CREBBP 3041/4885P2RY12 18/4885

“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.