SCHEMBL14727787

SCHEMBL14727787

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.39
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
PDE4B Q07343 4/20 0.38
PHGDH O43175 2/20 0.38
RXRB P28702 3/20 0.37
MMP13 P45452 2/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
RAB9A P51151 1/20 0.35
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
NR4A2 P43354 1/20 0.33
CFTR P13569 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6903520 0.93 RXRA (0.37) RXRARARARARBRARGPDE4B
SCHEMBL14727780 0.93 ADORA3 (0.33) RXRARARARARBRARGPDE4B
SCHEMBL14727778 0.89 TGFBR1 (0.33)
SCHEMBL14727762 0.88 NR1H2 (0.33)
SCHEMBL14727729 0.88 F2 (0.34) PDE4B
SCHEMBL14727772 0.88 FAAH (0.32) POLBMEN1KMT2A
SCHEMBL14727669 0.87 PTGS2 (0.35)
SCHEMBL14727776 0.86 BRD4 (0.32)
SCHEMBL14727761 0.86 SCN9A (0.32) CYP2C9KDM4EALDH1A1
SCHEMBL1658931 0.86 MAOB (0.35) RXRARARARARBRARGCYP2C9

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 RXRA 3030/4885RARA 3699/4885RARB 2717/4885

“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.