SCHEMBL477753

SCHEMBL477753

Cc1ccc(C(F)(F)F)cc1C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.50
TAS2R14 Q9NYV8 1/20 0.47
SORT1 Q99523 4/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CFTR P13569 1/20 0.42
CNR2 P34972 2/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
USP2 O75604 1/20 0.41
CYP2C19 P33261 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL3023134 0.89 CES2 (0.53) CES2TAS2R14SORT1KDM4EALDH1A1
SCHEMBL3925394 0.83 CES2 (0.52) CES2TAS2R14SORT1KDM4EALDH1A1
SCHEMBL710431 0.83 TAS2R14 (0.59) CES2TAS2R14SORT1KDM4EALDH1A1
SCHEMBL10850330 0.82 PDE4A (0.40) KDM4E
SCHEMBL26019684 0.81 CES2 (0.50) CES2TAS2R14SORT1KDM4EALDH1A1
SCHEMBL5323409 0.81 CES2 (0.50) CES2TAS2R14SORT1KDM4EALDH1A1
SCHEMBL937701 0.79 CES2 (0.72) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL477732 0.79 JAK2 (0.55) CES2SORT1KDM4EALDH1A1HPGD
SCHEMBL283293 0.79 CES2 (0.52) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27803367 0.79 CES2 (0.52) CES2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193713-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2015-11-24 US disclosed
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 EP disclosed
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
US-8492371-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-07-23 US disclosed
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 US disclosed
US-8334314-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-12-18 US disclosed
US-8334314-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-12-18 US disclosed
CN-101094827-B Benzene compound having two or more substituents DAIICHI SANKYO CO LTD 2012-06-13 CN disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
CN-101094827-A Benzene compound having two or more substituents SANKYO CO (JP) 2007-12-26 CN disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
CN-101012193-A Novel CB 1 receptour inverse agonists HOFFMANN LA ROCHE (CH) 2007-08-08 CN disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
CN-1735593-A Novel CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US 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 (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-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B CES2 2023/4885TAS2R14 4313/4885SORT1 4625/4885
US-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 CES2 559/4885TAS2R14 1398/4885SORT1 4368/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CES2 541/4885TAS2R14 1661/4885SORT1 3969/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 CES2 750/4885TAS2R14 1118/4885SORT1 3460/4885

“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.