SCHEMBL5085546

SCHEMBL5085546

O=C(O)[C@H](O)c1cc(F)c(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 7/20 0.39
CES1 P23141 7/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN7 P35236 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MME P08473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5085545 1.00 CES2 (0.39) CES2CES1LMNAMAPK1SLC1A3
SCHEMBL29653910 1.00 CES2 (0.39) CES2CES1LMNAMAPK1SLC1A3
SCHEMBL28849580 0.83 ADRA1A (0.52) CES2CES1LMNAMAPK1PTGS1
SCHEMBL28171465 0.83 ADRA1A (0.52) CES2CES1LMNAMAPK1PTGS1
SCHEMBL28171464 0.83 ADRA1A (0.52) CES2CES1LMNAMAPK1PTGS1
SCHEMBL6902621 0.79 SRC (0.36) CES2CES1SLC1A3SLC1A2SLC1A1
SCHEMBL29009873 0.77 SLC1A3 (0.38) CES2CES1SLC1A3SLC1A2SLC1A1
SCHEMBL1668573 0.77 CES2 (0.66) CES2CES1LMNAMAPK1
SCHEMBL31736255 0.77 CES2 (0.66) CES2CES1LMNAMAPK1
SCHEMBL1671155 0.77 CES2 (0.66) CES2CES1LMNAMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
CN-110831944-B Method for preparing sitagliptin by preparing intermediate 2,4, 5-trifluoro-phenylacetic acid 意大利合成制造有限公司 2022-05-27 CN disclosed
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
CN-110831944-A Efficient process for the preparation of sitagliptin by very efficient preparation of intermediate 2,4, 5-trifluorophenylacetic acid 意大利合成制造有限公司 2020-02-21 CN 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
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 CES2 3002/4885CES1 740/4885LMNA 3711/4885
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 CES2 3002/4885CES1 740/4885LMNA 3711/4885

“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.