SCHEMBL2393829

SCHEMBL2393829

CCCc1nc(C(=O)NC(CS)CC(C)C)[nH]c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)nc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
AGTR1 P30556 3/20 0.32
AGTR2 P50052 3/20 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
SCHEMBL2394132 0.90 AGTR2 (0.38) AGTR1AGTR2
SCHEMBL3261878 0.85 OPRM1 (0.36) OPRM1OPRK1ALOX5APFEN1AGTR1
SCHEMBL2394000 0.85 AGTR1 (0.40) AGTR1
SCHEMBL2391983 0.82 MME (0.31) AGTR1
SCHEMBL2392342 0.74 PYGL (0.34) OPRM1OPRK1
SCHEMBL3264923 0.74 AGTR2 (0.44) AGTR1AGTR2
SCHEMBL2390362 0.72 AGTR1 (0.38) AGTR1
SCHEMBL652709 0.70 MME (0.36) AGTR2
SCHEMBL2391209 0.69
SCHEMBL2390358 0.69 AGTR1 (0.48) AGTR1AGTR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230525-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-09-22 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-20110230525-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 OPRM1 344/4885OPRK1 173/4885ALOX5AP 2053/4885

“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.