SCHEMBL671906

SCHEMBL671906

CC(=O)c1ccc(F)c(F)c1F

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.67
CES1 P23141 6/20 0.67
BCHE P06276 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 3/20 0.39
MAOA P21397 1/20 0.39
PKM P14618 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL29775631 1.00 CES2 (0.67) CES2CES1BCHEKMT2AMAOB
SCHEMBL2315628 0.82 CES2 (0.50) CES2CES1BCHEKMT2AMAOB
SCHEMBL2601627 0.82 CES2 (0.45) CES2CES1KMT2AMAOBMAOA
SCHEMBL26771499 0.82 CES2 (0.50) CES2CES1BCHEKMT2AMAOB
SCHEMBL4621035 0.82 CES2 (0.45) CES2CES1BCHEKMT2AMAOB
SCHEMBL8281191 0.82 CES2 (0.45) CES2CES1BCHEKMT2AMAOB
SCHEMBL116280 0.81 CES2 (0.45) CES2CES1KMT2AMAOBMAOA
SCHEMBL2827111 0.80 CES2 (0.48) CES2CES1BCHEKMT2AMAOB
SCHEMBL29741520 0.80 CES2 (0.48) CES2CES1BCHEKMT2AMAOB
SCHEMBL1760850 0.80 CES2 (0.73) CES2CES1BCHEALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
US-20140371464-A1 PROCESS FOR THE PREPARATION OF CHIRAL ISOXAZOLINE AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2014-12-18 US claimed
EP-2809667-A1 PROCESS FOR THE PREPARATION OF CHIRAL ISOXAZOLINE AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS Zoetis LLC (US) 2014-12-10 EP claimed
WO-2013116236-A1 PROCESS FOR THE PREPARATION OF CHIRAL ISOXAZOLINE AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS LLC (US) 2013-08-08 WO claimed
JP-7101921-A None JP disclosed
US-12404253-B2 2,4,6-trisubstituted 1,3,5-triazines as modulators of CX3CR1 ASTRAZENECA AB (SE) 2025-09-02 US disclosed
US-20240383866-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 ASTRAZENECA AB (SE) 2024-11-21 US disclosed
US-20240199558-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 ASTRAZENECA AB (SE) 2024-06-20 US disclosed
WO-2024083933-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX 3CR1 ASTRAZENECA AB (SE) 2024-04-25 WO disclosed
EP-3798217-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-22 EP disclosed
CN-115612045-A Isatin-aromatic hydrocarbon copolymer, electrolyte solution thereof, and preparation method and application of ion exchange membrane 大连理工大学 2023-01-17 CN disclosed
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
US-20070272003-A1 2-(2-{2-[2-(2-{2-[2-(11-mercaptoyldisulfanyl-undecyloxy)ethoxy]ethoxy}ethoxy)ethoxy]ethoxy} acetic acid pentafluorophenyl ester; poly(ethylene oxide) groups resist nonspecific adsorption and enhance the specific affinity interactions IMEC (BE) 2007-11-29 US disclosed
US-20070272003-A1 2-(2-{2-[2-(2-{2-[2-(11-mercaptoyldisulfanyl-undecyloxy)ethoxy]ethoxy}ethoxy)ethoxy]ethoxy} acetic acid pentafluorophenyl ester; poly(ethylene oxide) groups resist nonspecific adsorption and enhance the specific affinity interactions IMEC (BE) 2007-11-29 US disclosed
WO-2007081335-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO., INC. (US) 2007-07-19 WO disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
EP-1448193-A4 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO INC (US) 2005-11-23 EP disclosed
EP-1448193-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS Merck & Co., Inc. (US) 2004-08-25 EP disclosed
WO-2003045382-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO., INC. (US) 2003-06-05 WO disclosed
JP-H07101921-A OPTICALLY ACTIVE TRIFLUOROMETHYLBENZYL ALCOHOL DERIVATIVE AND ITS PRODUCTION CHISSO CORP 1995-04-18 JP 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 (6 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-20240199558-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 CX3CR1, CCR2, CCR5 CES2 3829/4885CES1 4432/4885BCHE 4871/4885
US-20240383866-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 CX3CR1, CCR2, CCR5 CES2 3829/4885CES1 4432/4885BCHE 4871/4885
US-12404253-B2 2,4,6-trisubstituted 1,3,5-triazines as modulators of CX3CR1 CX3CR1, CCR2, CCR5 CES2 3829/4885CES1 4432/4885BCHE 4871/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CES2 4820/4885CES1 3698/4885BCHE 3227/4885
US-20140371464-A1 PROCESS FOR THE PREPARATION OF CHIRAL ISOXAZOLINE AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS RDX, CYP2C9, CYP1A2 CES2 376/4885CES1 419/4885BCHE 422/4885
US-20070272003-A1 2-(2-{2-[2-(2-{2-[2-(11-mercaptoyldisulfanyl-undecyloxy)ethoxy]ethoxy}ethoxy)ethoxy]ethoxy} acetic acid pentafluorophenyl ester; poly(ethylene oxide) groups resist nonspecific adsorption and enhance the specific affinity interactions EBPL, AEBP2, NAPA CES2 920/4885CES1 3935/4885BCHE 2539/4885

“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.