SCHEMBL8915338

SCHEMBL8915338

Cc1cc(Cl)c(Cl)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.41
NOTUM Q6P988 2/20 0.39
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
HSD11B1 P28845 3/20 0.33
S1PR1 P21453 2/20 0.33
IDO1 P14902 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
KDR P35968 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33
CD44 P16070 1/20 0.32

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
SCHEMBL30855350 1.00 RAPGEF4 (0.41) RAPGEF4NOTUMPGK1PGK2HSD11B1
SCHEMBL10983557 0.88 CD44 (0.41) RAPGEF4NOTUMPGK1PGK2HSD11B1
SCHEMBL25789703 0.84 RAPGEF4 (0.38) RAPGEF4NOTUMPGK1PGK2HSD11B1
SCHEMBL9243570 0.84 RAPGEF4 (0.38) RAPGEF4NOTUMPGK1PGK2HSD11B1
SCHEMBL10493649 0.83 RAPGEF4 (0.43) RAPGEF4NOTUMIDO1HTR3EHTR3B
SCHEMBL27373921 0.82 CD44 (0.46) RAPGEF4IDO1HTR3EHTR3BHTR3A
SCHEMBL10293004 0.81 PGK1 (0.41) RAPGEF4NOTUMPGK1PGK2S1PR1
SCHEMBL13568683 0.80 RAPGEF4 (0.44) RAPGEF4NOTUMHSD11B1IDO1HTR3E
SCHEMBL15958047 0.78 PGK1 (0.50) RAPGEF4NOTUMPGK1PGK2HSD11B1
SCHEMBL18179221 0.78 AR (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886700-A Preparation method of 2-methyl-3-trifluoromethyl aniline 福建永晶科技股份有限公司 2024-04-16 CN claimed
JP-63045241-A None JP disclosed
JP-63270632-A None JP disclosed
JP-63045240-A None JP disclosed
CN-117886700-A Preparation method of 2-methyl-3-trifluoromethyl aniline 福建永晶科技股份有限公司 2024-04-16 CN disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 US disclosed
CN-1935758-A Process for producing 2-methyl-4,5-dichloro benzo trifluoride SHU YUANAN (CN) 2007-03-28 CN disclosed
US-5600036-A 2-trifluoromethyl-4-chlorobenzalchloride and 2-methyl-3-nitro-5-chlorobenzotrifluoride useful as intermediates for preparing 2-methyl-3-aminobenzotrifluoride CENTRAL GLASS COMPANY, LIMITED (JP) 1997-02-04 US disclosed
US-5449831-A Process of preparing 2-methyl-3-aminobenzotrifluoride CENTRAL GLASS COMPANY, LIMITED (JP) 1995-09-12 US disclosed
US-4876404-A Preparation of dichlorotrifluoromethyltoluenes including novel isomers CENTRAL GLASS COMPANY, LIMITED (JP) 1989-10-24 US disclosed
US-4876404-A Preparation of dichlorotrifluoromethyltoluenes including novel isomers CENTRAL GLASS COMPANY, LIMITED (JP) 1989-10-24 US disclosed
JP-S63270632-A NOVEL DICHLOROTRIFLUOROMETHYLTOLUENE AND PRODUCTION THEREOF CENTRAL GLASS CO LTD 1988-11-08 JP disclosed
JP-S6345241-A PRODUCTION OF 2-METHYL-3-AMINO-BENZOTRIFLUORIDE CENTRAL GLASS CO LTD 1988-02-26 JP disclosed
JP-S6345240-A 3,4-DICHLORO-6-TRIFLUOROMETHYL-TOLUENE DERIVATIVE AND PRODUCTION THEREOF CENTRAL GLASS CO LTD 1988-02-26 JP disclosed
US-4533777-A HALOALKYLATION OF A BENZENE RING USING CARBON TETRACHLORIDE AND HYDROFLUORIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1985-08-06 US disclosed
EP-0008453-B1 PROCESS FOR PREPARING TRIFLUOROMETHYL AROMATIC COMPOUNDS BAYER AG (DE) 1981-04-29 EP disclosed
EP-0008453-A1 Process for preparing trifluoromethyl aromatic compounds BAYER AG (DE) 1980-03-05 EP 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-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 RAPGEF4 1287/4885NOTUM 4696/4885PGK1 3865/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 RAPGEF4 1287/4885NOTUM 4696/4885PGK1 3865/4885

“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.