SCHEMBL743044

SCHEMBL743044

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.42
DPP7 Q9UHL4 4/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 3/20 0.38
CYP3A4 P08684 2/20 0.37
PIN1 Q13526 1/20 0.36

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
SCHEMBL744346 1.00 DPP4 (0.42) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL16750215 1.00 DPP4 (0.42) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL20008502 0.87 DPP4 (0.42) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL7932108 0.85 DPP4 (0.40) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL25075296 0.84 DPP4 (0.40) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL15108795 0.84 DPP4 (0.40) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL22950650 0.84 DPP4 (0.46) DPP4DPP7DPP8DPP9
SCHEMBL22950652 0.84 DPP4 (0.46) DPP4DPP7DPP8DPP9
SCHEMBL15103376 0.84 DPP4 (0.40) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL13005310 0.84 DPP4 (0.46) DPP4DPP7DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108598-A1 SITAGLIPTIN SYNTHESIS MYLAN INDIA PRIVATE LIMITED (IN) 2012-05-03 US claimed
US-20180086765-A1 NOVEL INTERMEDIATES FOR PREPARING DPP-IV INHIBITORS, PREPARING METHOD THEREOF AND PREPARING METHOD OF DPP-IV INHIBITORS USING THE SAME KYUNG DONG PHARM. CO., LTD. (KR) 2018-03-29 US disclosed
US-20160194680-A1 Enzymatic Route For The Preparation Of Chiral Gamma-Aryl-Beta-Aminobutyric Acid Derivatives LEK PHARMACEUTICALS D.D. (SI) 2016-07-07 US disclosed
US-9249109-B2 Method for preparing dipeptidyl peptidase-IV inhibitor and intermediate DONG-A PHARMACEUTICAL CO., LTD. (KR) 2016-02-02 US disclosed
US-9187419-B2 Intermediates of sitagliptin and preparation process thereof ZHEJIANG HISOAR PHARMACEUTICAL CO., LTD. (CN) 2015-11-17 US disclosed
US-20150025241-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG-A PHARMACEUTICAL. CO., LTD (KR) 2015-01-22 US disclosed
US-8846916-B2 Sitagliptin synthesis GENERICS [UK] LIMITED (GB) 2014-09-30 US disclosed
US-8846916-B2 Sitagliptin synthesis GENERICS [UK] LIMITED (GB) 2014-09-30 US disclosed
US-20130281695-A1 INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF ZHEJIANG HISOAR PHARMACEUTICAL CO., LTD. (CN) 2013-10-24 US disclosed
US-8334385-B2 Process for the preparation of R-sitagliptin and its pharmaceutically acceptable salts thereof GLENMARK GENERICS LIMITED 2012-12-18 US disclosed
US-20120108598-A1 SITAGLIPTIN SYNTHESIS MYLAN INDIA PRIVATE LIMITED (IN) 2012-05-03 US disclosed
US-20120108598-A1 SITAGLIPTIN SYNTHESIS MYLAN INDIA PRIVATE LIMITED (IN) 2012-05-03 US disclosed
EP-2430025-A1 SITAGLIPTIN SYNTHESIS Generics [UK] Limited (GB) 2012-03-21 EP disclosed
US-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG-A PHARMACEUTICAL. CO., LTD (KR) 2012-01-19 US disclosed
US-20120016125-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG-A PHARMACEUTICAL. CO., LTD (KR) 2012-01-19 US disclosed
US-8030315-B2 DPP-IV inhibitor including beta-amino group, preparation method thereof and pharmaceutical composition containing the same for preventing and treating diabetes or obesity DONG-A PHARM. CO., LTD. (KR) 2011-10-04 US disclosed
US-20100317856-A1 PROCESS FOR THE PREPARATION OF R-SITAGLIPTIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF GLENMARK GENERICS LTD (IN) 2010-12-16 US disclosed
US-20100120790-A1 DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING DIABETES OR OBESITY DONG-A PHARM. CO., LTD (KR) 2010-05-13 US 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 (9 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-20150025241-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 4/4885
US-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 5/4885
US-20180086765-A1 NOVEL INTERMEDIATES FOR PREPARING DPP-IV INHIBITORS, PREPARING METHOD THEREOF AND PREPARING METHOD OF DPP-IV INHIBITORS USING THE SAME DPP4, DPP7, DPP9 DPP4 1/4885DPP7 2/4885DPP8 4/4885
US-20120016125-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 4/4885
US-20120108598-A1 SITAGLIPTIN SYNTHESIS DPP4, DPP7, DPP3 DPP4 1/4885DPP7 2/4885DPP8 5/4885
US-20100317856-A1 PROCESS FOR THE PREPARATION OF R-SITAGLIPTIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF DPP4, DPP9, DPP3 DPP4 1/4885DPP7 4/4885DPP8 5/4885
US-20100120790-A1 DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING DIABETES OR OBESITY DPP4, DPP7, DPP3 DPP4 1/4885DPP7 2/4885DPP8 5/4885
US-20130281695-A1 INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF DPP4, DPP9, DPP3 DPP4 1/4885DPP7 4/4885DPP8 5/4885
US-20160194680-A1 Enzymatic Route For The Preparation Of Chiral Gamma-Aryl-Beta-Aminobutyric Acid Derivatives GABRB1, GABRB2, GABRB3 DPP4 431/4885DPP7 262/4885DPP8 647/4885

“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.