SCHEMBL9922387

SCHEMBL9922387

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(NCCN5CCCC5)ccc4c3=O)nc2)s1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.42
KCNH2 Q12809 6/20 0.42
TERT O14746 8/20 0.39
KMT2A Q03164 1/20 0.36
P2RY12 Q9H244 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
POT1 Q9NUX5 3/20 0.35
MCHR1 Q99705 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
SCHEMBL12177214 0.99 HRH3 (0.42) HRH3KCNH2TERTKMT2AP2RY12
SCHEMBL13182892 0.96 HRH3 (0.43) HRH3KCNH2TERTKMT2APOT1
SCHEMBL14113594 0.95 HRH3 (0.42) HRH3KCNH2TERTPOT1
SCHEMBL12161498 0.94 P2RY12 (0.43) HRH3KCNH2TERTKMT2AP2RY12
SCHEMBL9922379 0.94 P2RY12 (0.42) HRH3KCNH2TERTKMT2AP2RY12
SCHEMBL12177261 0.94 KCNH2 (0.37) HRH3KCNH2KMT2AP2RY12MCHR1
SCHEMBL9923217 0.90 HRH3 (0.47) HRH3KCNH2TERTP2RY12CTNNB1
SCHEMBL9922744 0.90 HRH3 (0.42) HRH3KCNH2TERTKMT2AP2RY12
SCHEMBL12177420 0.90 HRH3 (0.46) HRH3KCNH2TERTP2RY12
SCHEMBL9922202 0.90 HRH3 (0.42) HRH3KCNH2TERTKMT2AP2RY12

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-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 685/4885TERT 2357/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 HRH3 1858/4885KCNH2 1064/4885TERT 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.