SCHEMBL5084418

SCHEMBL5084418

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DPP4 P27487 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALPL P05186 1/20 0.33
NR3C2 P08235 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32

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
SCHEMBL2545081 0.84 LMNA (0.39) SMN1; SMN2MAPTLMNAALDH1A1GAA
SCHEMBL14661394 0.80 MDM2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28137954 0.80 GAA (0.35) SMN1; SMN2MAPTLMNAHPGDALDH1A1
SCHEMBL5082185 0.79 CES2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5082189 0.79 CES2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7882734 0.78 KMT2A (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28435707 0.76 ALDH1A1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7116479 0.76 KMT2A (0.47) LMNAALDH1A1KMT2AMEN1GAA
SCHEMBL5084398 0.76 EIF4A3 (0.34) LMNA
SCHEMBL28187370 0.76 CES2 (0.31) ALDH1A1

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 6 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
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 PSEN1 2293/4885PSEN2 1443/4885APH1B 1440/4885
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 PSEN1 2293/4885PSEN2 1443/4885APH1B 1440/4885

“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.