SCHEMBL3721167

SCHEMBL3721167

COC(=O)C[C@H](O)Cc1cc(F)c(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.48
DPP7 Q9UHL4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL902826 1.00 DPP4 (0.48) DPP4DPP7ALDH1A1MAPTHTT
SCHEMBL3719922 1.00 DPP4 (0.48) DPP4DPP7ALDH1A1MAPTHTT
SCHEMBL19186660 0.87 DPP4 (0.48) DPP4DPP7ALDH1A1MAPTHTT
SCHEMBL7902907 0.87 DPP4 (0.48) DPP4DPP7ALDH1A1MAPTHTT
SCHEMBL12027403 0.84 DPP4 (0.40) DPP4DPP7
SCHEMBL28931518 0.84 DPP4 (0.42) DPP4DPP7MAPT
SCHEMBL8310385 0.83 DPP4 (0.44) DPP4DPP7ALDH1A1MAPTHTT
SCHEMBL9985996 0.83 DPP4 (0.48) DPP4DPP7
SCHEMBL9985994 0.83 DPP4 (0.48) DPP4DPP7
SCHEMBL743991 0.83 DPP4 (0.53) DPP4DPP7

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
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 WO claimed
US-20090123983-A1 Processes for preparing an intermediate of sitagliptin via enzymatic reduction TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-14 US claimed
WO-2009045507-A2 PROCESSES FOR PREPARING AN INTERMEDIATE OF SITAGLIPTIN VIA ENZYMATIC REDUCTION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-09 WO claimed
US-9409912-B2 Process for the preparation of sitagliptin phosphate CADILA HEALTHCARE LIMITED (IN) 2016-08-09 US disclosed
US-20150087834-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN PHOSPHATE CADILA HEALTHCARE LIMITED (IN) 2015-03-26 US disclosed
WO-2011040717-A2 METHOD FOR PREPARING INTERMEDIATE OF SITAGLIPTIN USING CHIRAL OXIRANE HANMI HOLDINGS CO., LTD. (KR) 2011-04-07 WO disclosed
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 WO disclosed
US-20090123983-A1 Processes for preparing an intermediate of sitagliptin via enzymatic reduction TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-14 US disclosed
US-20090123983-A1 Processes for preparing an intermediate of sitagliptin via enzymatic reduction TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-14 US disclosed
WO-2009045507-A2 PROCESSES FOR PREPARING AN INTERMEDIATE OF SITAGLIPTIN VIA ENZYMATIC REDUCTION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-09 WO disclosed
WO-2009045507-A2 PROCESSES FOR PREPARING AN INTERMEDIATE OF SITAGLIPTIN VIA ENZYMATIC REDUCTION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-09 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-20090123983-A1 Processes for preparing an intermediate of sitagliptin via enzymatic reduction DPP4, DPP3, SI DPP4 1/4885DPP7 5/4885ALDH1A1 502/4885
US-20150087834-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN PHOSPHATE DPP4, DPP9, SI DPP4 1/4885DPP7 6/4885ALDH1A1 1591/4885

“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.