SCHEMBL14727772

SCHEMBL14727772

CCn1nc(-c2cccc(C(C)(C)NS(=O)(=O)CC)c2)cc1Oc1ccc(C(C)O)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.32
BRD4 O60885 1/20 0.31
SCN9A Q15858 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL14717920 0.94 SCN9A (0.33) FAAHSCN9A
SCHEMBL14727732 0.94 BRD4 (0.32) BRD4POLB
SCHEMBL14727775 0.93 BRD4 (0.31) BRD4SCN9A
SCHEMBL14727776 0.92 BRD4 (0.32) BRD4SCN9A
SCHEMBL14727778 0.89 TGFBR1 (0.33) FAAHBRD4
SCHEMBL6903516 0.89 ACSS2 (0.34) SCN9A
SCHEMBL14727762 0.88 NR1H2 (0.33) FAAHBRD4SCN9A
SCHEMBL14718605 0.88 SCN9A (0.33) FAAHSCN9A
SCHEMBL14718169 0.88 CYP17A1 (0.32) SCN9A
SCHEMBL14727729 0.88 F2 (0.34) BRD4SCN9AMAPT

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-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 FAAH 55/4885BRD4 389/4885SCN9A 1887/4885

“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.