SCHEMBL4751469

SCHEMBL4751469

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.38
MMEL1 Q495T6 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL8302595 0.87 DPP4 (0.38) DPP4MMEL1ITGB3ITGB1ITGAV
SCHEMBL13825142 0.83 MMEL1 (0.41) DPP4MMEL1ITGB3
SCHEMBL9986281 0.81 DPP4 (0.45) DPP4CYP3A4DPP8DPP9DPP7
SCHEMBL9986286 0.81 DPP4 (0.45) DPP4CYP3A4DPP8DPP9DPP7
SCHEMBL15108790 0.78 DPP4 (0.40) DPP4MMEL1CYP3A4
SCHEMBL743824 0.78 DPP4 (0.44) DPP4CYP3A4DPP8DPP9DPP7
SCHEMBL30753564 0.78 DPP4 (0.44) DPP4CYP3A4DPP8DPP9DPP7
SCHEMBL897883 0.78 DPP4 (0.44) DPP4CYP3A4DPP8DPP9DPP7
SCHEMBL30378432 0.78 DPP4 (0.44) DPP4CYP3A4DPP8DPP9DPP7
SCHEMBL16750215 0.77 DPP4 (0.42) DPP4CYP3A4DPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861598-B1 NEW SYNTHETIC ROUTE FOR THE PREPARATION OF ß-AMINOBUTYRYL SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,4]DIAZOLO[4,3-a]PYRAZIN-7-YL COMPOUNDS LEK PHARMACEUTICALS (SI) 2017-10-25 EP disclosed
WO-2016204376-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) 2016-12-22 WO disclosed
US-9388188-B2 Synthetic route for the preparation of β-aminobutyryl substituted 5,6,7,8-tetrahydro[1,4]diazolo[4,3-alpha ]pyrazin-7-yl compounds LEK PHARMACEUTICALS D.D. (SI) 2016-07-12 US disclosed
EP-2669266-B1 Improved Method for Manufacturing Dipeptidyl Peptidase-IV Inhibitor and Intermediate DONG A ST CO LTD (KR) 2016-02-24 EP 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-20150148533-A1 New Synthetic Route For The Preparation Of Beta-aminobutyryl Substituted 5,6,7,8-tetrahydro[1,4]diazolo[4,3-alpha]Pyrazin-7-yl Compounds LEK PHARMACEUTICALS D.D. (SI) 2015-05-28 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
EP-2481722-B1 SITAGLIPTIN INTERMEDIATES, PREPARATION METHODS AND USES THEREOF ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2014-08-27 EP disclosed
EP-2415753-B1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG A PHARM CO LTD (KR) 2014-08-27 EP disclosed
US-20130281695-A1 INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF ZHEJIANG HISOAR PHARMACEUTICAL CO., LTD. (CN) 2013-10-24 US disclosed
US-8471057-B2 Sitagliptin intermediates, preparation methods and uses thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2013-06-25 US disclosed
EP-2481722-A1 SITAGLIPTIN INTERMEDIATES, PREPARATION METHODS AND USES THEREOF Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2012-08-01 EP disclosed
US-20120178957-A1 SITAGLIPTIN INTERMEDIATES, PREPARATION METHODS AND USES THEREOF ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2012-07-12 US disclosed
US-20120108598-A1 SITAGLIPTIN SYNTHESIS MYLAN INDIA PRIVATE LIMITED (IN) 2012-05-03 US 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
WO-2010114291-A2 IMPROVED METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE 동아제약 주식회사 (KR) 2010-10-07 WO disclosed
WO-2010114292-A2 IMPROVED METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE 동아제약 주식회사 (KR) 2010-10-07 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 (7 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 1/4885MMEL1 107/4885S1PR1 2912/4885
US-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 DPP4 1/4885MMEL1 80/4885S1PR1 3840/4885
US-20120016125-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 DPP4 1/4885MMEL1 107/4885S1PR1 2912/4885
US-20120108598-A1 SITAGLIPTIN SYNTHESIS DPP4, DPP7, DPP3 DPP4 1/4885MMEL1 28/4885S1PR1 3079/4885
US-20120178957-A1 SITAGLIPTIN INTERMEDIATES, PREPARATION METHODS AND USES THEREOF DPP4, DPP8, DPP9 DPP4 1/4885MMEL1 1276/4885S1PR1 2565/4885
US-20130281695-A1 INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF DPP4, DPP9, DPP3 DPP4 1/4885MMEL1 1129/4885S1PR1 4046/4885
US-20150148533-A1 New Synthetic Route For The Preparation Of Beta-aminobutyryl Substituted 5,6,7,8-tetrahydro[1,4]diazolo[4,3-alpha]Pyrazin-7-yl Compounds GABRB3, GABRB1, GABRB2 DPP4 40/4885MMEL1 4616/4885S1PR1 3729/4885

“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.