SCHEMBL743042

SCHEMBL743042

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.53
DPP7 Q9UHL4 1/20 0.50
CYP3A4 P08684 2/20 0.47
DPP8 Q6V1X1 1/20 0.46

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
SCHEMBL29619671 1.00 DPP4 (0.53) DPP4DPP7CYP3A4DPP8
SCHEMBL743991 1.00 DPP4 (0.53) DPP4DPP7CYP3A4DPP8
SCHEMBL25663563 1.00 DPP4 (0.53) DPP4DPP7CYP3A4DPP8
SCHEMBL571909 1.00 DPP4 (0.53) DPP4DPP7CYP3A4DPP8
Hydrochloric Acid SCHEMBL3702345 0.98 DPP4 (0.53) DPP4DPP7DPP8
SCHEMBL28687928 0.86 DPP4 (0.51) DPP4DPP7CYP3A4DPP8
Mandelic Acid SCHEMBL30307007 0.85 DPP4 (0.48) DPP4DPP7CYP3A4DPP8
SCHEMBL1644943 0.85 DPP4 (0.51) DPP4DPP7CYP3A4DPP8
SCHEMBL22950634 0.85 DPP4 (0.49) DPP4DPP7CYP3A4DPP8
SCHEMBL22950624 0.85 DPP4 (0.49) DPP4DPP7CYP3A4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023012819-A1 RECOMBINANT TRANSAMINASE POLYPEPTIDES QUANTUMZYME LLP (IN) 2023-02-09 WO claimed
US-20120108598-A1 SITAGLIPTIN SYNTHESIS MYLAN INDIA PRIVATE LIMITED (IN) 2012-05-03 US claimed
EP-2430025-A1 SITAGLIPTIN SYNTHESIS Generics [UK] Limited (GB) 2012-03-21 EP claimed
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 WO claimed
US-11932886-B2 Engineered transaminase polypeptides and uses thereof ENZYMASTER (NINGBO) BIO-ENGINEERING CO., LTD. (CN) 2024-03-19 US disclosed
CN-115819260-B Synthesis process of sitagliptin intermediate 江苏阿尔法药业股份有限公司 2024-03-19 CN disclosed
CN-116514656-A Synthesis process of sitagliptin intermediate 江苏阿尔法药业股份有限公司 2023-08-01 CN disclosed
CN-116064457-A Omega-aminotransferase mutant and application thereof 浙江工业大学 2023-05-05 CN disclosed
CN-115819260-A Synthesis process of sitagliptin intermediate 江苏阿尔法药业股份有限公司 2023-03-21 CN disclosed
WO-2023021529-A1 IMPROVED ENZYMATIC SYNTHESIS OF SITAGLIPTIN OR ITS SALTS THEREOF FERMENTA BIOTECH LIMITED (IN) 2023-02-23 WO disclosed
CN-112048485-B Engineered transaminase polypeptide for preparing sitagliptin 宁波酶赛生物工程有限公司 2022-09-27 CN disclosed
CN-112048485-A Engineered transaminase polypeptide for preparing sitagliptin 宁波酶赛生物工程有限公司 2020-12-08 CN disclosed
WO-2012017391-A2 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF CADILA PHARMACEUTICALS LIMITED (IN) 2012-02-09 WO disclosed
EP-2415754-A2 IMPROVED METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE Dong-A Pharmaceutical Co., Ltd. (KR) 2012-02-08 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-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-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 WO 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 (3 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 1/4885DPP7 3/4885CYP3A4 234/4885
US-20120016125-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885CYP3A4 205/4885
US-20120108598-A1 SITAGLIPTIN SYNTHESIS DPP4, DPP7, DPP3 DPP4 1/4885DPP7 2/4885CYP3A4 53/4885

“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.