SCHEMBL16829643

SCHEMBL16829643

FC(F)(F)c1cc(/C=C\CBr)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.39
AHR P35869 1/20 0.36
PTGS1 P23219 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
CES2 O00748 1/20 0.34
RPS6KA3 P51812 1/20 0.34
JAK3 P52333 1/20 0.34
NFE2L2 Q16236 1/20 0.33
TDO2 P48775 1/20 0.33
FBP1 P09467 1/20 0.32
ACP1 P24666 1/20 0.32
NQO2 P16083 1/20 0.32
TACR1 P25103 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
SCHEMBL16829586 1.00 IDO1 (0.39) IDO1AHRPTGS1PPARGPPARD
SCHEMBL16829584 1.00 IDO1 (0.39) IDO1AHRPTGS1PPARGPPARD
SCHEMBL18195370 0.87 NFE2L2 (0.39) IDO1AHRPTGS1PPARGPPARD
SCHEMBL18197427 0.86 IDO1 (0.37) IDO1AHRPTGS1PPARGPPARD
SCHEMBL7286051 0.81 NFE2L2 (0.56) IDO1NFE2L2FBP1
SCHEMBL30619992 0.81 NFE2L2 (0.56) IDO1NFE2L2FBP1
SCHEMBL7286044 0.81 NFE2L2 (0.56) IDO1NFE2L2FBP1
SCHEMBL12505799 0.81 IDO1 (0.41) IDO1AHRPTGS1PPARGPPARD
SCHEMBL2097827 0.79 RPS6KA3 (0.41) IDO1AHRPTGS1PPARGPPARD
SCHEMBL18187457 0.79 ALDH1A1 (0.42) IDO1AHRPTGS1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083642-B1 FUSED BICYCLIC ISOXAZOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN MERCK SHARP & DOHME (US) 2018-09-05 EP disclosed
US-9663534-B2 Fused bicyclic isoxazolines as inhibitors of cholesterol ester transfer protein MERCK SHARP & DOHME CORP. (US) 2017-05-30 US disclosed
US-9663534-B2 Fused bicyclic isoxazolines as inhibitors of cholesterol ester transfer protein MERCK SHARP & DOHME CORP. (US) 2017-05-30 US disclosed
US-20160318950-A1 FUSED BICYCLIC ISOXAZOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN MERCK SHARP & DOHME CORP. (US) 2016-11-03 US disclosed
US-20160318950-A1 FUSED BICYCLIC ISOXAZOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN MERCK SHARP & DOHME CORP. (US) 2016-11-03 US disclosed
EP-3083642-A1 FUSED BICYCLIC ISOXAZOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN Merck Sharp & Dohme Corp. (US) 2016-10-26 EP disclosed
WO-2015094932-A1 FUSED BICYCLIC ISOXAZOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015094932-A1 FUSED BICYCLIC ISOXAZOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO 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-20160318950-A1 FUSED BICYCLIC ISOXAZOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN CETP, MTTP, LCAT IDO1 4326/4885AHR 3715/4885PTGS1 2991/4885

“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.