SCHEMBL18774237

SCHEMBL18774237

N/C(=C\C(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)cc(F)c1F

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.64
▸ DPP8 Q6V1X1 9/20 0.52
▸ DPP9 Q86TI2 4/20 0.50
▸ ACE P12821 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ FAP Q12884 1/20 0.50
▸ DPP7 Q9UHL4 1/20 0.50

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
SCHEMBL1136099 0.87 DPP4 (0.62) DPP4DPP8DPP9ACEHTR2A
SCHEMBL30406108 0.87 DPP4 (0.62) DPP4DPP8DPP9ACEHTR2A
SCHEMBL1136100 0.87 DPP4 (0.62) DPP4DPP8DPP9ACEHTR2A
SCHEMBL1136102 0.87 DPP4 (0.62) DPP4DPP8DPP9ACEHTR2A
SCHEMBL25304263 0.82 DPP4 (0.69) DPP4DPP8DPP9ACEHTR2A
SCHEMBL1409245 0.78 DPP4 (1.00) DPP4DPP8DPP9ACEHTR2A
SCHEMBL17001389 0.77 DPP4 (0.59) DPP4DPP8DPP9ACEHTR2A
SCHEMBL15166497 0.75 DPP4 (0.57) DPP4DPP8DPP9ACEHTR2A
SCHEMBL16750213 0.74 DPP4 (0.56) DPP4DPP8DPP9ACEHTR2A
SCHEMBL25842321 0.74 DPP4 (0.76) DPP4DPP8DPP9ACEHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174266-B2 Efficient process for the preparation of sitagliptin F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2021-11-16 — — US disclosed
US-20210061808-A1 NEW EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2021-03-04 — — US 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
WO-2019158285-A1 NEW EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN. F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2019-08-22 — — WO disclosed
EP-3524605-A1 NEW EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2019-08-14 — — EP 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
EP-3159343-B1 IMPROVED PROCESS FOR THE PREPARATION OF TRIAZOLE AND SALT THEREOF F I S - FABBRICA ITALIANA SINTETICI S P A (IT) 2017-07-19 — — EP disclosed
EP-3159343-A1 IMPROVED PROCESS FOR THE PREPARATION OF TRIAZOLE AND SALT THEREOF F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2017-04-26 — — 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-20210061808-A1 NEW EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN DPP4, DPP9, DPP7 DPP4 1/4885DPP8 4/4885DPP9 2/4885
US-11174266-B2 Efficient process for the preparation of sitagliptin DPP4, DPP9, DPP7 DPP4 1/4885DPP8 5/4885DPP9 2/4885
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 DPP4 1/4885DPP8 7/4885DPP9 2/4885
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 DPP4 1/4885DPP8 7/4885DPP9 2/4885

“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.

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