SCHEMBL2387492

SCHEMBL2387492

O=C(O)c1cc(C(F)(F)F)c(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ASPH Q12797 1/20 0.46
▸ NOTUM Q6P988 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CES2 O00748 2/20 0.37
▸ SORT1 Q99523 3/20 0.37
▸ TAS2R14 Q9NYV8 4/20 0.36
▸ CFTR P13569 1/20 0.36
▸ GRIK1 P39086 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ KEAP1 Q14145 1/20 0.34
▸ DAO P14920 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
SCHEMBL15920412 0.80 ASPH (0.53) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL3036944 0.80 ASPH (0.59) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL5872828 0.79 KEAP1 (0.43) ASPHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1458482 0.79 KDM4E (0.43) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL25111974 0.79 EPRS1 (0.46) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL8389880 0.79 ASPH (0.42) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL30483541 0.79 EPRS1 (0.46) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL24566862 0.79 KDM4E (0.43) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL29334051 0.79 ASPH (0.42) ASPHNOTUMKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL22164128 0.78 ASPH (0.57) ASPHNOTUMKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968994-B1 PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF UBE INDUSTRIES (JP) 2002-11-06 — — EP claimed
EP-0968994-A1 SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2000-01-05 — — EP claimed
US-8022247-B2 Process for production of 2,3,4-trifluoro-5-(iodo or bromo)-benzoic acid CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 — — US disclosed
EP-1870392-B1 PROCESS FOR PRODUCTION OF 2,3,4-TRIFLUORO-5-(IODO OR BROMO)BENZOIC ACID CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-06-16 — — EP disclosed
US-20090209785-A1 Process for Production of 2,3,4-Trifluoro-5-(Iodo or Bromo)-Benzoic Acid CHUGAI SELYAKU KABUSHIKI KAISHA (JP) 2009-08-20 — — US disclosed
EP-1870392-A1 PROCESS FOR PRODUCTION OF 2,3,4-TRIFLUORO-5-(IODO OR BROMO)BENZOIC ACID CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-12-26 — — EP disclosed
EP-0968994-B1 PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF UBE INDUSTRIES (JP) 2002-11-06 — — EP disclosed
EP-0968994-B1 PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF UBE INDUSTRIES (JP) 2002-11-06 — — EP disclosed
US-6307091-B1 TRIFLUOROMETHYLATING A TRIFLUOROIODOBENZOIC ACID ESTER WITH ADIFLUORO(FLUOROSULFONYL)ACETIC ACID ESTER IN THE PRESENCE OF A COPPER CATALYST IN AN ORGANIC SOLVENT. UBE INDUSTRIES, LTD. (JP) 2001-10-23 — — US disclosed
US-6307091-B1 TRIFLUOROMETHYLATING A TRIFLUOROIODOBENZOIC ACID ESTER WITH ADIFLUORO(FLUOROSULFONYL)ACETIC ACID ESTER IN THE PRESENCE OF A COPPER CATALYST IN AN ORGANIC SOLVENT. UBE INDUSTRIES, LTD. (JP) 2001-10-23 — — US disclosed
US-6160171-A Trifluoro-substituted benzoic acid, esters thereof, and process for producing the same UBE INDUSTRIES, LTD. (JP) 2000-12-12 — — US disclosed
US-6160171-A Trifluoro-substituted benzoic acid, esters thereof, and process for producing the same UBE INDUSTRIES, LTD. (JP) 2000-12-12 — — US disclosed
EP-0968994-A1 SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2000-01-05 — — EP disclosed
EP-0968994-A1 SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2000-01-05 — — EP disclosed
EP-0968994-A4 SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES (JP) 2000-01-05 — — EP disclosed
WO-1998007682-A1 SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 1998-02-26 — — 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-20090209785-A1 Process for Production of 2,3,4-Trifluoro-5-(Iodo or Bromo)-Benzoic Acid HAO2, BBOX1, TH ASPH 3183/4885NOTUM 2392/4885KDM4E 2747/4885

“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.

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