SCHEMBL6548321

SCHEMBL6548321

CCC(Oc1ccc(F)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
PPARG P37231 16/20 0.51
PPARA Q07869 15/20 0.51
PPARD Q03181 1/20 0.41

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
SCHEMBL29936845 1.00 SMN1; SMN2 (0.56) SMN1; SMN2PPARGPPARAPPARD
SCHEMBL23754109 1.00 SMN1; SMN2 (0.56) SMN1; SMN2PPARGPPARAPPARD
SCHEMBL9616847 1.00 SMN1; SMN2 (0.56) SMN1; SMN2PPARGPPARAPPARD
Hydrochloric Acid SCHEMBL6547942 0.99 SMN1; SMN2 (0.55) SMN1; SMN2PPARGPPARAPPARD
SCHEMBL29963700 0.94 SMN1; SMN2 (0.50) SMN1; SMN2PPARGPPARAPPARD
SCHEMBL6549329 0.89 PPARG (0.57) SMN1; SMN2PPARGPPARA
SCHEMBL23771770 0.89 PPARA (0.42) SMN1; SMN2PPARGPPARAPPARD
SCHEMBL23771728 0.89 PPARA (0.42) SMN1; SMN2PPARGPPARAPPARD
SCHEMBL9626140 0.88 SMN1; SMN2 (0.45) SMN1; SMN2PPARGPPARAPPARD
Hydrochloric Acid SCHEMBL6547951 0.88 PPARG (0.56) SMN1; SMN2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4202168-A None JP disclosed
EP-4103543-B1 PROCESS FOR THE SYNTHESIS OF S-BEFLUBUTAMID USING ASYMMETRIC HYDROGENATION CHEMINOVA AS (DK) 2023-12-06 EP disclosed
CN-116332785-A Preparation method of S-fluobutachlor 山东省农药科学研究院 2023-06-27 CN disclosed
CN-116217426-A Method for synthesizing S-fluorobutyramide from (R) -2-sulfonyl butyrate alkyl ester 山东省农药科学研究院 2023-06-06 CN disclosed
US-20230103936-A1 PREPARATION OF S-BEFLUBUTAMID BY RESOLVING 2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENOXY)BUTANOIC ACID CHEMINOVA A/S (DK) 2023-04-06 US disclosed
US-20230099631-A1 PROCESS FOR THE SYNTHESIS OF S-BEFLUBUTAMID USING ASYMMETRIC HYDROGENATION CHEMINOVA A/S (DK) 2023-03-30 US disclosed
EP-4103543-A1 PROCESS FOR THE SYNTHESIS OF-BEFLUBUTAMID USING ASYMMETRIC HYDROGENATION Cheminova A/S (DK) 2022-12-21 EP disclosed
EP-4103544-A1 PREPARATION OF S-BEFLUBUTAMID BY RESOLVING 2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENOXY)BUTANOIC ACID Cheminova A/S (DK) 2022-12-21 EP disclosed
CN-115151525-A Method for synthesizing S-beflubutamid by using asymmetric hydrogenation 凯米诺瓦有限公司 2022-10-04 CN disclosed
CN-115087632-A Preparation of S-fluorobutachlor by resolution of 2- (4-fluoro-3- (trifluoromethyl) phenoxy) butanoic acid 凯米诺瓦有限公司 2022-09-20 CN disclosed
WO-2021161101-A1 PREPARATION OF S-BEFLUBUTAMID BY RESOLVING 2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENOXY)BUTANOIC ACID CHEMINOVA A/S (DK) 2021-08-19 WO disclosed
WO-2021161101-A1 PREPARATION OF S-BEFLUBUTAMID BY RESOLVING 2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENOXY)BUTANOIC ACID CHEMINOVA A/S (DK) 2021-08-19 WO disclosed
EP-1180515-B9 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES UBE INDUSTRIES (JP) 2004-12-01 EP disclosed
EP-1180515-B1 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES UBE INDUSTRIES (JP) 2004-04-14 EP disclosed
US-6706664-B1 Benzoxazole compounds, process for the preparation thereof and herbicides UBE INDUSTRIES, LTD. (JP) 2004-03-16 US disclosed
EP-1180515-A1 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES Ube Industries, Ltd. (JP) 2002-02-20 EP disclosed
JP-H04202168-A PRODUCTION OF OPTICALLY ACTIVE SUBSTITUTED-PHENOXYALKANOIC ACID AMIDES UBE IND LTD 1992-07-22 JP disclosed
US-4929273-A N-benzyl-2-(4-fluoro-3-trifluoromethylphenoxy)butanoic amide and herbicidal composition containing the same UBE INDUSTRIES, LTD. (JP) 1990-05-29 US disclosed
EP-0239414-B1 N-BENZYL-2-(4-FLUORO-3-TRIFLUOROMETHYLPHENOXY) BUTANOIC AMIDE AND HERBICIDAL COMPOSITION CONTAINING THE SAME UBE INDUSTRIES, LTD. (JP) 1989-11-02 EP disclosed
EP-0239414-A1 N-Benzyl-2-(4-fluoro-3-trifluoromethylphenoxy) butanoic amide and herbicidal composition containing the same UBE INDUSTRIES, LTD. (JP) 1987-09-30 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-20230103936-A1 PREPARATION OF S-BEFLUBUTAMID BY RESOLVING 2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENOXY)BUTANOIC ACID RAC2, RAC1, RAC3 SMN1; SMN2 427/4885PPARG 3624/4885PPARA 3575/4885
US-20230099631-A1 PROCESS FOR THE SYNTHESIS OF S-BEFLUBUTAMID USING ASYMMETRIC HYDROGENATION SRM, SF3B5, STS SMN1; SMN2 997/4885PPARG 4614/4885PPARA 4183/4885

“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.