SCHEMBL571909

SCHEMBL571909

COC(=O)CC(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
SCHEMBL743042 1.00 DPP4 (0.53) DPP4DPP7CYP3A4DPP8
SCHEMBL29619671 1.00 DPP4 (0.53) DPP4DPP7CYP3A4DPP8
SCHEMBL743991 1.00 DPP4 (0.53) DPP4DPP7CYP3A4DPP8
SCHEMBL25663563 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 48 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-8846916-B2 Sitagliptin synthesis GENERICS [UK] LIMITED (GB) 2014-09-30 US 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-2010131025-A1 SITAGLIPTIN SYNTHESIS GENERICS [UK] LIMITED (GB) 2010-11-18 WO 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
US-20230142248-A1 METHOD FOR RACEMIC PREPARATION OF CHIRAL B-AMINO ACIDS AND DERIVATIVES THEREOF ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
WO-2023021529-A1 IMPROVED ENZYMATIC SYNTHESIS OF SITAGLIPTIN OR ITS SALTS THEREOF FERMENTA BIOTECH LIMITED (IN) 2023-02-23 WO disclosed
WO-2021017645-A1 RACEMIC PREPARATION METHOD FOR CHIRAL β-AMINO ACID AND DERIVATIVE THEREOF 浙江九洲药业股份有限公司 2021-02-04 WO disclosed
US-20200332321-A1 ENGINEERED TRANSAMINASE POLYPEPTIDES AND USES THEREOF Enzymaster (Ningbo) Bio-Engineering Co., Ltd (CN) 2020-10-22 US disclosed
EP-2694466-B1 PREPARATION OF SITAGLIPTIN INTERMEDIATES LEK PHARMACEUTICALS (SI) 2018-10-24 EP 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
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
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
WO-2012017391-A2 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF CADILA PHARMACEUTICALS LIMITED (IN) 2012-02-09 WO disclosed
WO-2010131025-A1 SITAGLIPTIN SYNTHESIS GENERICS [UK] LIMITED (GB) 2010-11-18 WO disclosed
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 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-20120108598-A1 SITAGLIPTIN SYNTHESIS DPP4, DPP7, DPP3 DPP4 1/4885DPP7 2/4885CYP3A4 53/4885
US-20230142248-A1 METHOD FOR RACEMIC PREPARATION OF CHIRAL B-AMINO ACIDS AND DERIVATIVES THEREOF GLP1R, SRR, GIPR DPP4 7/4885DPP7 12/4885CYP3A4 265/4885

“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.