SCHEMBL799344

SCHEMBL799344

Cc1cc(CO)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
GRIN2B Q13224 1/20 0.41
IDH1 O75874 1/20 0.41
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
IDO1 P14902 2/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.36
MAPT P10636 1/20 0.35
DAO P14920 1/20 0.35
NOTUM Q6P988 1/20 0.35
SRC P12931 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL14570493 0.85 IDO1 (0.43) GRIN2BIDH1IDO1MRGPRX4RAPGEF4
SCHEMBL265486 0.84 IDO1 (0.52) RXRARXRBRXRGPRKCAPRKCD
SCHEMBL10316301 0.84 NOS1 (0.42) GRIN2BIDH1IDO1MRGPRX4RAPGEF4
SCHEMBL16380850 0.84 PGK1 (0.36) RXRARXRBRXRGGRIN2BIDH1
SCHEMBL16767879 0.83 GRIN2B (0.44) GRIN2BIDH1IDO1MRGPRX4RAPGEF4
SCHEMBL806121 0.81 IDO1 (0.41) GRIN2BIDH1IDO1MRGPRX4RAPGEF4
SCHEMBL19051205 0.81 TACR1 (0.43) RXRARXRBPGK1PGK2
SCHEMBL799008 0.81 IDO1 (0.41) GRIN2BIDH1IDO1MRGPRX4RAPGEF4
SCHEMBL799078 0.79 IDO1 (0.39) GRIN2BIDH1IDO1MRGPRX4RAPGEF4
SCHEMBL16951240 0.79 RXRA (0.45) RXRARXRBRXRGPRKCAPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157088-A1 BENZENE FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2020-05-21 US disclosed
EP-2935249-B1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2018-12-12 EP disclosed
CN-104968656-B autotaxin inhibitors 诺华股份有限公司 2017-08-11 CN disclosed
US-9630945-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-04-25 US disclosed
US-20170007614-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2017-01-12 US disclosed
US-9409895-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2016-08-09 US disclosed
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-20150307475-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2015-10-29 US disclosed
EP-2935249-A2 AUTOTAXIN INHIBITORS Novartis AG (CH) 2015-10-28 EP disclosed
CN-104968656-A AUTOTAXIN INHIBITORS NOVARTIS AG 2015-10-07 CN disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 US disclosed
WO-2014097151-A2 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2014-06-26 WO disclosed
US-20140171404-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20140171403-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8318656-B2 Production processes and systems, compositions, surfactants, monomer units, metal complexes, phosphate esters, glycols, aqueous film forming foams, and foam stabilizers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-27 US disclosed
US-20120071689-A1 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS E.I. DU PONT DE NEMOURS AND COMPANY CHEMTURA CORPORATION (US) 2012-03-22 US disclosed
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
US-4950673-A 5-amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1990-08-21 US disclosed
US-4816469-A 5-Amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1989-03-28 US disclosed
US-4721791-A 5-amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1988-01-26 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 (8 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-20150307475-A1 Autotaxin inhibitors ENPP2, ATXN10, ATXN2L RXRA 3604/4885RXRB 3047/4885RXRG 3100/4885
US-20140171403-A1 Autotaxin inhibitors ENPP2, SERPINB1, TFPI RXRA 3196/4885RXRB 2917/4885RXRG 2689/4885
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 RXRA 1144/4885RXRB 1526/4885RXRG 1905/4885
US-20120071689-A1 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS FOS, AFF4, AFF1 RXRA 823/4885RXRB 1326/4885RXRG 831/4885
US-20200157088-A1 BENZENE FUSED HETEROCYCLIC COMPOUND AND USE THEREOF NR2C2, NR0B2, NR0B1 RXRA 131/4885RXRB 20/4885RXRG 155/4885
US-20140171404-A1 Autotaxin inhibitors ENPP2, ATXN10, ATXN2L RXRA 3578/4885RXRB 3178/4885RXRG 3139/4885
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators PPARD, PPARA, PPARG RXRA 36/4885RXRB 44/4885RXRG 38/4885
US-20170007614-A1 Autotaxin inhibitors ENPP2, SERPINB1, TFPI RXRA 3196/4885RXRB 2917/4885RXRG 2689/4885

“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.