SCHEMBL2268992

SCHEMBL2268992

O=C(O)N(CCN1CCS(O)(O)CC1)c1cccc(Cc2nn(-c3cc(F)c(F)c(F)c3)ccc2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.32
SIGMAR1 Q99720 1/20 0.31
CHRM4 P08173 1/20 0.30

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
SCHEMBL2268975 0.94 OPRM1 (0.32) OPRM1SIGMAR1CHRM4
SCHEMBL13274529 0.93 SIGMAR1 (0.36) OPRM1SIGMAR1
SCHEMBL13275361 0.93 OPRM1 (0.32) OPRM1SIGMAR1
SCHEMBL13275008 0.92 OPRM1 (0.36) OPRM1SIGMAR1CHRM4
SCHEMBL13274648 0.87 HTR7 (0.35) OPRM1SIGMAR1CHRM4
SCHEMBL13274528 0.87 SIGMAR1 (0.36) OPRM1SIGMAR1
SCHEMBL13275685 0.87 OPRM1 (0.33) OPRM1SIGMAR1
SCHEMBL13275357 0.86 HDAC1 (0.32) OPRM1SIGMAR1
SCHEMBL2365417 0.85 CACNA2D1 (0.38)
SCHEMBL13506662 0.85 HTR7 (0.33) SIGMAR1

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-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 OPRM1 2711/4885SIGMAR1 3491/4885CHRM4 4663/4885

“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.