SCHEMBL9922853

SCHEMBL9922853

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(=O)[nH]c4cc(NCCN5CCCC5)ccc4c3=O)c(F)c2)s1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.50
HTR3A P46098 9/20 0.43
TERT O14746 3/20 0.38
CACNA1G O43497 3/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL12177238 0.99 P2RY12 (0.49) P2RY12HTR3ATERTCACNA1GBRD4
SCHEMBL12177085 0.94 P2RY12 (0.48) P2RY12HTR3ATERTKDM4ELMNA
SCHEMBL12161062 0.92 P2RY12 (0.58) P2RY12HTR3ATERTCACNA1GEPHX2
SCHEMBL9922827 0.92 P2RY12 (0.58) P2RY12HTR3ATERTCACNA1GEPHX2
SCHEMBL13638629 0.90 P2RY12 (0.55) P2RY12HTR3ATERTCACNA1GKDM4E
SCHEMBL12177300 0.90 P2RY12 (0.52) P2RY12BRD4CREBBPKDM4EALDH1A1
SCHEMBL9922045 0.89 P2RY12 (0.52) P2RY12BRD4CREBBPKDM4EALDH1A1
SCHEMBL9923118 0.88 P2RY12 (0.55) P2RY12HTR3ATERTCACNA1GKDM4E
SCHEMBL14113609 0.88 P2RY12 (0.50) P2RY12TERTBRD4CREBBPKDM4E
SCHEMBL9923119 0.88 P2RY12 (0.55) P2RY12HTR3ATERTCACNA1GKDM4E

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 5 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-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-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 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 P2RY12 19/4885HTR3A 1270/4885TERT 2603/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885HTR3A 1231/4885TERT 2585/4885

“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.