SCHEMBL2451645

SCHEMBL2451645

O=C(OF)C(F)(F)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.45
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
CES1 P23141 2/20 0.40
CYP1A2 P05177 1/20 0.40
CES2 O00748 1/20 0.39
LMNA P02545 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
Hydrochloric Acid SCHEMBL29145555 0.98 KCNN4 (0.44) KCNN4PTPN1ALDH1A1TSHRMAPT
SCHEMBL29095960 0.98 KCNN4 (0.44) KCNN4PTPN1ALDH1A1TSHRMAPT
SCHEMBL11395704 0.84 KCNN4 (0.47) KCNN4PTPN1ALDH1A1TSHRMAPT
SCHEMBL506922 0.81 KCNN4 (0.64) KCNN4PTPN1ALDH1A1TSHRMAPT
SCHEMBL27568720 0.81 KCNN4 (0.44) KCNN4PTPN1ALDH1A1TSHRMAPT
SCHEMBL8583194 0.79 KCNN4 (0.42) KCNN4PTPN1ALDH1A1TSHRMAPT
SCHEMBL28049560 0.78 CHRM3 (0.46) KCNN4ALDH1A1MAPTKMT2AMEN1
SCHEMBL28468609 0.78 KCNN4 (0.41) KCNN4PTPN1ALDH1A1TSHRMAPT
SCHEMBL11395708 0.78 KCNN4 (0.46) KCNN4PTPN1ALDH1A1TSHRMAPT
SCHEMBL17993799 0.78 KCNN4 (0.46) KCNN4PTPN1ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116730795-B Synthesis method of trifluoro-phenylacetic acid intermediate 1,2, 4-trifluoro-benzene 山东国邦药业有限公司 2023-10-27 CN claimed
CN-116730795-A Synthesis method of trifluoro-phenylacetic acid intermediate 1,2, 4-trifluoro-benzene 山东国邦药业有限公司 2023-09-12 CN claimed
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 WO claimed
EP-4151620-B1 METHOD FOR PREPARING CHIRAL 4-ARYL-BETA-AMINO ACID DERIVATIVE ZHEJIANG MED XINCHANG PHARM (CN) 2026-04-08 EP disclosed
US-12534427-B2 Method for preparing chiral 4-aryl-β-amino acid derivative ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2026-01-27 US disclosed
CN-117384026-A Preparation method of phenylacetic acid compound 台州臻挚生物科技有限公司 2024-01-12 CN disclosed
CN-116947638-A Method for preparing sitagliptin intermediate by one-pot method 淄博飞源化工有限公司 2023-10-27 CN disclosed
CN-116730795-B Synthesis method of trifluoro-phenylacetic acid intermediate 1,2, 4-trifluoro-benzene 山东国邦药业有限公司 2023-10-27 CN disclosed
CN-116730795-B Synthesis method of trifluoro-phenylacetic acid intermediate 1,2, 4-trifluoro-benzene 山东国邦药业有限公司 2023-10-27 CN disclosed
CN-116730795-A Synthesis method of trifluoro-phenylacetic acid intermediate 1,2, 4-trifluoro-benzene 山东国邦药业有限公司 2023-09-12 CN disclosed
CN-116730795-A Synthesis method of trifluoro-phenylacetic acid intermediate 1,2, 4-trifluoro-benzene 山东国邦药业有限公司 2023-09-12 CN disclosed
US-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-02-03 US disclosed
WO-2004083212-A1 PROCESS TO BETA-KETOAMIDE INTERMEDIATES TO DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO., INC. (US) 2004-09-30 WO disclosed
US-20040077901-A1 Process for the synthesis of trifluorophenylacetic acids MERCK SHARP & DOHME LLC 2004-04-22 US disclosed
US-20040077901-A1 Process for the synthesis of trifluorophenylacetic acids MERCK SHARP & DOHME LLC 2004-04-22 US disclosed
US-20040077901-A1 Process for the synthesis of trifluorophenylacetic acids MERCK SHARP & DOHME LLC 2004-04-22 US disclosed
US-20040068141-A1 Process for the synthesis of trifluorophenylacetic acids ARMSTRONG JOSEPH D (US) 2004-04-08 US disclosed
US-20040068141-A1 Process for the synthesis of trifluorophenylacetic acids ARMSTRONG JOSEPH D (US) 2004-04-08 US disclosed
WO-2003090680-A2 NOVEL PHENYL DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2003-11-06 WO disclosed
EP-0457243-A1 Novel tricyclic compounds SYNTEX (U.S.A.) INC. (US) 1991-11-21 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 (4 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-12534427-B2 Method for preparing chiral 4-aryl-β-amino acid derivative OPRM1, SIGMAR1, GLRB KCNN4 712/4885PTPN1 3461/4885ALDH1A1 2795/4885
US-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis BAX, BAD, CASP3 KCNN4 4663/4885PTPN1 2929/4885ALDH1A1 1781/4885
US-20040068141-A1 Process for the synthesis of trifluorophenylacetic acids PCCA, PAH, PFAS KCNN4 2905/4885PTPN1 1118/4885ALDH1A1 611/4885
US-20040077901-A1 Process for the synthesis of trifluorophenylacetic acids GRHPR, PFAS, PCCA KCNN4 4553/4885PTPN1 2356/4885ALDH1A1 1082/4885

“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.