SCHEMBL14727780

SCHEMBL14727780

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 3/20 0.32
ALDH1A1 P00352 3/20 0.32
FAAH O00519 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
RXRA P19793 1/20 0.32
GLA P06280 1/20 0.32
PDE4B Q07343 2/20 0.32
SCN9A Q15858 1/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
HDAC1 Q13547 1/20 0.31
ESRRA P11474 1/20 0.31
BACE1 P56817 1/20 0.31
BRD4 O60885 1/20 0.31
AURKA O14965 1/20 0.31

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
SCHEMBL1658931 0.93 MAOB (0.35) MAOBLMNAALDH1A1FAAHRARA
SCHEMBL14727787 0.93 RXRA (0.39) ALDH1A1RARARARBRARGRXRA
SCHEMBL14727778 0.89 TGFBR1 (0.33) FAAHBRD4
SCHEMBL14727762 0.88 NR1H2 (0.33) FAAHSCN9AHDAC1BRD4FYN
SCHEMBL14727729 0.88 F2 (0.34) PDE4BSCN9AMAPTBRD4
SCHEMBL14727772 0.88 FAAH (0.32) FAAHSCN9AMAPTBRD4
SCHEMBL14727669 0.87 PTGS2 (0.35) SCN9AHDAC1BRD4
SCHEMBL14727776 0.86 BRD4 (0.32) SCN9ABRD4
SCHEMBL14727761 0.86 SCN9A (0.32) ALDH1A1FAAHSCN9AHPGDHDAC1
SCHEMBL6903520 0.86 RXRA (0.37) ALDH1A1RARARARBRARGRXRA

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 ADORA3 3818/4885MAOB 2595/4885LMNA 2158/4885

“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.