SCHEMBL5084398

SCHEMBL5084398

O=C(O)C(Cl)c1cc(F)c(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.34
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
LMNA P02545 1/20 0.32
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL28187370 0.83 CES2 (0.31) EIF4A3CES2CES1CA1CA2
SCHEMBL3741113 0.78 CES2 (0.50) LMNACES2CES1KEAP1PPARG
SCHEMBL20912575 0.77 KDM4E (0.35) LMNACA1CA2
SCHEMBL6902621 0.77 SRC (0.36) EIF4A3PTGS1PTGS2SLC1A3SLC1A2
SCHEMBL5084418 0.76 PSEN1 (0.35) LMNA
SCHEMBL14661473 0.76 PPARG (0.46) PPARGPPARA
SCHEMBL5085546 0.76 CES2 (0.39) PTGS1PTGS2SLC1A3SLC1A2SLC1A1
SCHEMBL29009873 0.76 SLC1A3 (0.38) EIF4A3PTGS1PTGS2SLC1A3SLC1A2
SCHEMBL29653910 0.76 CES2 (0.39) PTGS1PTGS2SLC1A3SLC1A2SLC1A1
SCHEMBL5085545 0.76 CES2 (0.39) PTGS1PTGS2SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913747-B2 Efficient process for the preparation of sitagliptin through a very effective preparation of the intermediate 2,4,5-trifluorophenylacetic acid F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2021-02-09 US disclosed
US-20200157109-A1 EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN THROUGH A VERY EFFECTIVE PREPARATION OF THE INTERMEDIATE 2,4,5-TRIFLUOROPHENYLACETIC ACID F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2020-05-21 US disclosed
EP-3424927-B1 EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN THROUGH A VERY EFFECTIVE PREPARATION OF THE INTERMEDIATE 2,4,5-TRIFLUOROPHENYLACETIC ACID FIS FABBRICA ITALIANA SINTETICI SPA (IT) 2019-04-17 EP disclosed
WO-2019007578-A1 EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN THROUGH A VERY EFFECTIVE PREPARATION OF THE INTERMEDIATE 2,4,5-TRIFLUOROPHENYLACETIC ACID F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2019-01-10 WO disclosed
EP-3424927-A1 EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN THROUGH A VERY EFFECTIVE PREPARATION OF THE INTERMEDIATE 2,4,5-TRIFLUOROPHENYLACETIC ACID F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2019-01-09 EP disclosed
CN-105254519-B Synthesizing method of sitagliptin key intermediate 常州吉恩药业有限公司 2017-05-17 CN disclosed
WO-2008078350-A2 PROCESS FOR THE PREPARATION OF FLUOROPHENYLACETIC ACIDS AND DERIVATIVES THEREOF F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2008-07-03 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 (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-20200157109-A1 EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN THROUGH A VERY EFFECTIVE PREPARATION OF THE INTERMEDIATE 2,4,5-TRIFLUOROPHENYLACETIC ACID DPP4, DPP9, DPP7 EIF4A3 253/4885PTGS1 4015/4885PTGS2 3918/4885
US-10913747-B2 Efficient process for the preparation of sitagliptin through a very effective preparation of the intermediate 2,4,5-trifluorophenylacetic acid DPP4, DPP9, DPP7 EIF4A3 253/4885PTGS1 4015/4885PTGS2 3918/4885

“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.