SCHEMBL1085609

SCHEMBL1085609

C=C(C)c1nc(-c2cccc3c2N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)nc2N3)no1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 20/20 0.77
NR1I2 O75469 9/20 0.70

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
SCHEMBL1085523 0.91 BRS3 (0.78) BRS3NR1I2
SCHEMBL1085132 0.87 BRS3 (1.00) BRS3NR1I2
SCHEMBL1085946 0.86 BRS3 (0.77) BRS3NR1I2
SCHEMBL1085099 0.86 BRS3 (0.90) BRS3NR1I2
SCHEMBL1087349 0.84 BRS3 (0.86) BRS3NR1I2
SCHEMBL1085078 0.83 BRS3 (1.00) BRS3NR1I2
SCHEMBL1085925 0.82 BRS3 (1.00) BRS3NR1I2
SCHEMBL1091855 0.81 BRS3 (0.88) BRS3NR1I2
SCHEMBL10239332 0.79 BRS3 (0.71) BRS3NR1I2
SCHEMBL13115059 0.79 BRS3 (0.89) BRS3NR1I2

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-8153626-B2 Substituted diazepine sulfonamides as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-04-10 US disclosed
US-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS MERCK SHARP & DOHME LLC 2010-12-16 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-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS BRS3, BRSK1, BRSK2 BRS3 1/4885NR1I2 418/4885

“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.