SCHEMBL9923217

SCHEMBL9923217

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(NCCN5CCCC5)ccc4c3=O)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.47
KCNH2 Q12809 10/20 0.47
P2RY12 Q9H244 1/20 0.43
TERT O14746 1/20 0.41
TP53 P04637 1/20 0.40
ADRA1A P35348 1/20 0.40
NOD1 Q9Y239 1/20 0.39
PPARG P37231 1/20 0.39
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38

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
SCHEMBL12177420 0.99 HRH3 (0.46) HRH3KCNH2P2RY12TERTTP53
SCHEMBL12177310 0.93 P2RY12 (0.41) HRH3KCNH2P2RY12TP53NOD1
SCHEMBL12161445 0.93 P2RY12 (0.51) HRH3KCNH2P2RY12TERTTP53
SCHEMBL9922949 0.93 P2RY12 (0.51) HRH3KCNH2P2RY12TERTTP53
SCHEMBL9922387 0.90 HRH3 (0.42) HRH3KCNH2P2RY12TERTCTNNB1
SCHEMBL13638561 0.90 KCNH2 (0.41) HRH3KCNH2P2RY12TERTNOD1
SCHEMBL9922173 0.90 P2RY12 (0.49) HRH3KCNH2P2RY12TERTTP53
SCHEMBL12177214 0.90 HRH3 (0.42) HRH3KCNH2P2RY12TERTADRA1A
SCHEMBL14228575 0.90 P2RY12 (0.45) HRH3KCNH2P2RY12TP53NOD1
SCHEMBL9922172 0.89 P2RY12 (0.49) HRH3KCNH2P2RY12TERTADRA1A

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 3 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
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 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-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 HRH3 2498/4885KCNH2 685/4885P2RY12 89/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 HRH3 1858/4885KCNH2 1064/4885P2RY12 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.