SCHEMBL743824

SCHEMBL743824

O=C(O)C[C@@H](Cc1cc(F)c(F)cc1F)NOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.44
PIN1 Q13526 1/20 0.40
DPP7 Q9UHL4 5/20 0.40
DPP8 Q6V1X1 4/20 0.40
CYP3A4 P08684 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DPP9 Q86TI2 3/20 0.37
CTSA P10619 1/20 0.37

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
SCHEMBL30753564 1.00 DPP4 (0.44) DPP4PIN1DPP7DPP8CYP3A4
SCHEMBL897883 1.00 DPP4 (0.44) DPP4PIN1DPP7DPP8CYP3A4
SCHEMBL30378432 1.00 DPP4 (0.44) DPP4PIN1DPP7DPP8CYP3A4
Tert-Butylamine SCHEMBL898670 0.94 DPP4 (0.43) DPP4PIN1DPP7DPP8CYP3A4
SCHEMBL13084120 0.89 DPP4 (0.42) DPP4DPP7DPP8CYP3A4NPC1
SCHEMBL6697319 0.88 DPP4 (0.39) DPP4PIN1DPP7CYP3A4NPC1
SCHEMBL344346 0.83 CTRB1 (0.53) DPP4PIN1
SCHEMBL344345 0.83 CTRB1 (0.53) DPP4PIN1
SCHEMBL15114869 0.82 DPP4 (0.37) DPP4DPP7DPP8CYP3A4NPC1
SCHEMBL15108794 0.82 DPP4 (0.37) DPP4DPP7DPP8CYP3A4NPC1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063351-B Green synthesis of chiral beta amino acids using biological enzymes and immobilized aminotransferase used 北京元延医药科技股份有限公司 2024-06-28 CN disclosed
CN-118063351-A Green synthesis of chiral beta amino acids using biological enzymes and immobilized aminotransferase used 北京元延医药科技股份有限公司 2024-05-24 CN disclosed
CN-117467733-B High chiral purity sitagliptin and method for preparing same by using immobilized transaminase 北京元延医药科技股份有限公司 2024-03-12 CN disclosed
CN-117467733-A High chiral purity sitagliptin and method for preparing same by using immobilized transaminase 北京元延医药科技股份有限公司 2024-01-30 CN disclosed
WO-2023175492-A1 NOVEL INTERMEDIATES AND ITS USE IN MANUFACTURING OF SITAGLIPTIN HIKAL LIMITED (IN) 2023-09-21 WO disclosed
EP-2802554-B1 PREPARATION OF OPTICALLY PURE ß-AMINO ACID TYPE ACTIVE PHARMACEUTICAL INGREDIENTS AND INTERMEDIATES THEREOF LEK PHARMACEUTICALS (SI) 2018-04-25 EP disclosed
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
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-2016110750-A1 NOVEL PROCESS FOR THE PREPARATION OF DIPEPTIDYL PEPTIDASE-4 (DPP-4) ENZYME INHIBITOR LEE PHARMA LIMITED (IN) 2016-07-14 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
US-20120108598-A1 SITAGLIPTIN SYNTHESIS MYLAN INDIA PRIVATE LIMITED (IN) 2012-05-03 US disclosed
WO-2012042534-A2 PROCESSES FOR THE PREPARATION OF R-SITAGLIPTIN AND INTERMEDIATES THEREOF GLENMARK GENERICS LIMITED (IN) 2012-04-05 WO disclosed
WO-2012042534-A2 PROCESSES FOR THE PREPARATION OF R-SITAGLIPTIN AND INTERMEDIATES THEREOF GLENMARK GENERICS LIMITED (IN) 2012-04-05 WO 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
WO-2011040717-A2 METHOD FOR PREPARING INTERMEDIATE OF SITAGLIPTIN USING CHIRAL OXIRANE HANMI HOLDINGS CO., LTD. (KR) 2011-04-07 WO disclosed
WO-2010131025-A1 SITAGLIPTIN SYNTHESIS GENERICS [UK] LIMITED (GB) 2010-11-18 WO disclosed
WO-2010097420-A1 PROCESS FOR THE PREPARATION OF A CHIRAL BETA AMINOACID DERIVATIVE AND INTERMEDIATES THEREOF Esteve Química, S.A. (ES) 2010-09-02 WO disclosed
EP-2223923-A1 Process for the preparation of a chiral beta aminoacid derivative and intermediates thereof Esteve Química, S.A. (ES) 2010-09-01 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-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 DPP4 1/4885PIN1 232/4885DPP7 3/4885
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 1/4885PIN1 709/4885DPP7 2/4885
US-20120016125-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 DPP4 1/4885PIN1 138/4885DPP7 3/4885
US-20120108598-A1 SITAGLIPTIN SYNTHESIS DPP4, DPP7, DPP3 DPP4 1/4885PIN1 743/4885DPP7 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.