SCHEMBL5084281

SCHEMBL5084281

COC(=O)Cc1cc(F)c(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.46
DPP4 P27487 4/20 0.44
RORC P51449 1/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GLA P06280 2/20 0.39
EGFR P00533 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL30633059 1.00 HSP90AB1 (0.46) HSP90AB1DPP4RORCMTNR1AMTNR1B
SCHEMBL725284 0.87 DPP4 (0.41) HSP90AB1DPP4RORCMTNR1AMTNR1B
SCHEMBL30167907 0.87 DPP4 (0.41) HSP90AB1DPP4RORCMTNR1AMTNR1B
SCHEMBL22527805 0.85 RORC (0.41) HSP90AB1DPP4RORCMTNR1AMTNR1B
SCHEMBL29737923 0.85 RORC (0.41) HSP90AB1DPP4RORCMTNR1AMTNR1B
SCHEMBL2399645 0.83 MTNR1A (0.49) HSP90AB1RORCMTNR1AMTNR1BALDH1A1
SCHEMBL328578 0.83 ALDH1A1 (0.46) HSP90AB1DPP4RORCMTNR1AMTNR1B
SCHEMBL7881526 0.82 PDGFRB (0.48) HSP90AB1DPP4RORCMTNR1AMTNR1B
SCHEMBL23832263 0.81 MAPT (0.40) HSP90AB1RORCMTNR1AMTNR1BALDH1A1
SCHEMBL30154484 0.81 MAPT (0.40) HSP90AB1RORCMTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115246762-A Preparation method of 2,4,5-trifluorophenylacetic acid 上海朴颐化学科技有限公司 2022-10-28 CN claimed
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-115246762-A Preparation method of 2,4,5-trifluorophenylacetic acid 上海朴颐化学科技有限公司 2022-10-28 CN disclosed
CN-115246762-A Preparation method of 2,4,5-trifluorophenylacetic acid 上海朴颐化学科技有限公司 2022-10-28 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
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 HSP90AB1 3465/4885DPP4 1/4885RORC 4521/4885
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 HSP90AB1 3465/4885DPP4 1/4885RORC 4521/4885

“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.