SCHEMBL1742369

SCHEMBL1742369

CC(F)(F)c1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KIF11 P52732 4/20 0.40
TSHR P16473 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
KLF10 Q13118 1/20 0.36
VHL P40337 1/20 0.35
ELOC Q15369 1/20 0.35
ELOB Q15370 1/20 0.35
LTA4H P09960 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL15528364 0.82 PDE2A (0.47) EPHX2PPARGPPARAKIF11TSHR
SCHEMBL12490658 0.80 HSD11B1 (0.47) EPHX2
SCHEMBL96239 0.80 TAAR1 (0.54) KIF11TAAR1IDO1
SCHEMBL113722 0.80 EPHX2 (0.61) EPHX2PPARGPPARATSHR
SCHEMBL787308 0.80 ESR1 (0.52) EPHX2PPARGPPARAKIF11TSHR
SCHEMBL12299036 0.79 TSHR (0.40) KIF11TSHRESR1ESR2
SCHEMBL27483429 0.79 EPHX2 (0.40) EPHX2PPARGPPARAKIF11TSHR
Hydrochloric Acid SCHEMBL30282379 0.78 IDO1 (0.54) KIF11TAAR1IDO1
SCHEMBL11932058 0.78 TAAR1 (0.37) TSHRESR1ESR2TAAR1IDO1
SCHEMBL2175643 0.78 EPHX2 (0.46) EPHX2PPARGPPARAKIF11TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11440884-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2022-09-13 US disclosed
CN-107311846-B Gem difluoroethyl substituted stilbene and diphenylethane derivatives, and preparation method and application thereof 上海华理生物医药股份有限公司 2022-05-13 CN disclosed
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2021-04-29 US disclosed
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2021-04-29 US disclosed
EP-2821401-B1 DIHYDROQUINOLINONE COMPOUNDS AS MODULATORS OF THE MUSCARININC M1 RECEPTOR TAKEDA PHARMACEUTICALS CO (JP) 2020-09-09 EP disclosed
EP-3672960-A2 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES Acadia Pharmaceuticals Inc. (US) 2020-07-01 EP disclosed
WO-2019040104-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
WO-2019040104-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
WO-2019020029-A1 GEM-DIFLUOROETHYL SUBSTITUTED STILBENE AND DIPHENYLETHANE DERIVATIVES, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海华理生物医药股份有限公司 2019-01-31 WO disclosed
CN-105473575-B Benzimidazolyl-methylurea derivatives as ALX receptor agonists 爱杜西亚药品有限公司 2017-11-24 CN disclosed
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP disclosed
US-4173706-A REACTING WITH MOLYBDENUM HEXAFLUORIDE INSTITUTE NATIONAL DE RECHERCHE CHIMIQUE APPLIQUEE (FR) 1979-11-06 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 (4 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP EPHX2 1434/4885PPARG 905/4885PPARA 708/4885
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 EPHX2 3141/4885PPARG 232/4885PPARA 896/4885
US-11440884-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, VHL, CYP11B2 EPHX2 1291/4885PPARG 275/4885PPARA 423/4885
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, VHL, CYP11B2 EPHX2 1291/4885PPARG 275/4885PPARA 423/4885

“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.