SCHEMBL4067277

SCHEMBL4067277

Cn1nc(-c2cc(C(=O)O)c(Cl)cc2F)c(Cl)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.37
RORC P51449 7/20 0.37
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 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
SCHEMBL8546587 0.90 RORC (0.36) NTRK1RORCKDM4C
SCHEMBL7960684 0.90 NTRK1 (0.35) NTRK1MAPTMAPK1MEN1CYP1A2
SCHEMBL3689455 0.89 RORC (0.36) NTRK1RORCKDM4CMEN1KMT2A
SCHEMBL8591054 0.87 RORC (0.38) NTRK1RORC
SCHEMBL8547354 0.87 RORC (0.34) NTRK1RORC
SCHEMBL8593704 0.87 RORC (0.38) NTRK1RORC
SCHEMBL8589638 0.87 RORC (0.34) NTRK1RORC
SCHEMBL7960874 0.84 NTRK1 (0.38) NTRK1MAPT
SCHEMBL27561461 0.84 ALPL (0.36) NTRK1
SCHEMBL27320851 0.84 MAPT (0.34) NTRK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772598-B1 PREPARATION OF HETEROCYCLIC- AND CARBOCYCLIC-SUBSTITUTED BENZOIC ACIDS MONSANTO TECHNOLOGY LLC (US) 2002-02-06 EP claimed
EP-0553307-B1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO CO (US) 1998-12-09 EP claimed
CN-1159187-A Heterocyclic-and carbocyclic-substituted benzoic acids and synthesis thereof MONSANTO CO (US) 1997-09-10 CN claimed
US-5587485-A CATALYTIC OXIDATION OF THE CORRESPONDING ALKYL SUBSTITUTED BENZENE COMPOUND MONSANTO COMPANY (US) 1996-12-24 US claimed
US-5536700-A Herbicidal compositions comprising aryl-5-haloalkylpyrazoles and glyphosate, it's salts, diquat or paraquat MONSANTO COMPANY (US) 1996-07-16 US claimed
US-5489571-A CROP-SAFE COMPOUNDS EFFECTIVE AT LOW CONCENTRATIONS MONSANTO COMPANY (US) 1996-02-06 US claimed
US-5281571-A Herbicidal benzoxazinone- and benzothiazinone-substituted pyrazoles MONSANTO COMPANY (US) 1994-01-25 US claimed
EP-0553307-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1993-08-04 EP claimed
WO-1992006962-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1992-04-30 WO claimed
EP-1226127-B1 SUBSTITUTED PHENYL SULFAMOYL CARBOXAMIDES BASF SE (DE) 2009-07-01 EP disclosed
CN-1233631-C Substituted phenylpyrazoles as herbicides WANG ZHENGQUAN (CN) 2005-12-28 CN disclosed
US-6849618-B2 Uracil substituted phenyl sulfamoly carboxamides BASF AKTIENGESELLSCHAFT (DE) 2005-02-01 US disclosed
US-20040220172-A1 Herbicidal compositions for the desiccation/ defoliation of plants CARLSEN MARIANNE 2004-11-04 US disclosed
EP-0791571-B1 Benzoyl derivatives BAYER CROPSCIENCE AG (DE) 2004-06-16 EP disclosed
US-5496956-A BY ESTERIFICATION OF CARBOXY SUBSTITUTION WITH ALCOHOLS IN THE PRESENCE OF MINERAL ACID MONSANTO COMPANY (US) 1996-03-05 US disclosed
US-5489571-A CROP-SAFE COMPOUNDS EFFECTIVE AT LOW CONCENTRATIONS MONSANTO COMPANY (US) 1996-02-06 US disclosed
WO-1996002515-A1 HETEROCYCLIC- AND CARBOCYCLIC-SUBSTITUTED BENZOIC ACIDS AND SYNTHESIS THEREOF MONSANTO COMPANY (US) 1996-02-01 WO disclosed
US-5281571-A Herbicidal benzoxazinone- and benzothiazinone-substituted pyrazoles MONSANTO COMPANY (US) 1994-01-25 US disclosed
EP-0553307-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1993-08-04 EP disclosed
WO-1992006962-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1992-04-30 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 (1 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-20040220172-A1 Herbicidal compositions for the desiccation/ defoliation of plants CBR3, HDHD5, DDAH1 NTRK1 4646/4885RORC 4201/4885MAPT 4629/4885

“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.