SCHEMBL40176

SCHEMBL40176

O=CC(Br)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.47
CES2 O00748 2/20 0.47
PNMT P11086 1/20 0.47
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
DAO P14920 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
FBP1 P09467 1/20 0.38
MGLL Q99685 1/20 0.38
HSD17B2 P37059 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL21495044 0.82 HDAC8 (0.41) ACP3CES2TSHR
SCHEMBL15331089 0.81 ACP3 (0.50) ACP3CES2PNMTIDO1TDO2
SCHEMBL6970288 0.81 ACP3 (0.50) ACP3CES2PNMTIDO1TDO2
SCHEMBL1725347 0.81 HSD11B1 (0.37) ACP3CES2PNMT
SCHEMBL3250437 0.81 CES2 (0.39) CES2IDO1TDO2
SCHEMBL4429682 0.79 PNMT (0.55) ACP3CES2PNMTIDO1TDO2
SCHEMBL30705300 0.79 PNMT (0.55) ACP3CES2PNMTIDO1TDO2
SCHEMBL474177 0.79 PNMT (0.55) ACP3CES2PNMTIDO1TDO2
SCHEMBL9570750 0.79 ACP3 (0.47) ACP3CES2PNMTIDO1TDO2
SCHEMBL17515119 0.79 DAO (0.49) ACP3CES2PNMTIDO1TDO2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127301-A1 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed
EP-3174537-B1 MONOCYCLIC ISOXAZOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN MERCK SHARP & DOHME (US) 2021-06-23 EP disclosed
EP-3665156-A1 COMPOUNDS, COMPOSITIONS AND METHODS Denali Therapeutics Inc. (US) 2020-06-17 EP disclosed
WO-2019032743-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2019-02-14 WO disclosed
US-10011572-B2 Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-20170210715-A1 MONOCYCLIC ISOXAZOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN MERCK SHARP & DOHME CORP. (US) 2017-07-27 US disclosed
EP-3174537-A1 MONOCYCLIC ISOXAZOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN Merck Sharp & Dohme Corp. (US) 2017-06-07 EP disclosed
WO-2016018729-A1 MONOCYCLIC ISOXAZOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN MERCK SHARP & DOHME CORP. (US) 2016-02-04 WO disclosed
EP-2909170-A1 SUBSTITUTED CARBAMATE COMPOUNDS AND THEIR USE AS TRANSIENT RECEPTOR POTENTIAL (TRP) CHANNEL ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2015-08-26 EP disclosed
EP-2906544-A1 SUBSTITUTED PHENYLCARBAMATE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-19 EP disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
WO-2010029119-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS GALAPAGOS NV (BE) 2010-03-18 WO disclosed
EP-2148880-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-02-03 EP disclosed
WO-2009146358-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed
WO-2009129109-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-22 WO disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 WO disclosed
EP-1828186-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
WO-2006065703-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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 (2 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-10011572-B2 Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein CETP, MTTP, LCAT ACP3 2443/4885CES2 146/4885PNMT 3381/4885
US-20170210715-A1 MONOCYCLIC ISOXAZOLINES AS INHIBITORS OF CHOLESTEROL ESTER TRANSFER PROTEIN CETP, MTTP, LCAT ACP3 2443/4885CES2 146/4885PNMT 3381/4885

“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.