SCHEMBL14718267

SCHEMBL14718267

CCn1nc(-c2cccc(C3(N(C4CC4)[SH](=O)=O)COC3)c2)cc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.32
SCN9A Q15858 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 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
SCHEMBL14717826 0.92
SCHEMBL1661829 0.88 KCNN4 (0.33) KCNN4SCN9A
SCHEMBL14717904 0.86 SCN9A (0.33) KCNN4SCN9A
SCHEMBL1660271 0.83 SCN9A (0.30) SCN9A
SCHEMBL1661602 0.82 SCN9A (0.32) SCN9A
SCHEMBL14727808 0.81 MMP2 (0.33) SCN9A
SCHEMBL14727830 0.80 CRHR1 (0.33) SCN9A
SCHEMBL1658780 0.80 KCNN4 (0.36) KCNN4SCN9AOPRM1OPRL1
SCHEMBL14717961 0.79 MET (0.32) SCN9A
SCHEMBL1658570 0.79 MMP2 (0.31) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US claimed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US claimed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 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-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS BACE1, BACE2, GSAP KCNN4 4498/4885SCN9A 1887/4885OPRM1 4374/4885

“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.