SCHEMBL14727732

SCHEMBL14727732

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.32
PTPN5 P54829 1/20 0.30
POLB P06746 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL6903342 0.94 PTPN5 (0.33) PTPN5
SCHEMBL14727775 0.94 BRD4 (0.31) BRD4
SCHEMBL14727772 0.94 FAAH (0.32) BRD4POLB
SCHEMBL14727776 0.93 BRD4 (0.32) BRD4
SCHEMBL14727729 0.89 F2 (0.34) BRD4
SCHEMBL1660500 0.89 MAOA (0.31)
SCHEMBL14718572 0.89 MAOA (0.31)
SCHEMBL14727778 0.88 TGFBR1 (0.33) BRD4
SCHEMBL14727669 0.88 PTGS2 (0.35) BRD4
SCHEMBL14727857 0.88 AR (0.38) BRD4

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 BRD4 389/4885PTPN5 1830/4885POLB 3940/4885

“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.