SCHEMBL342708

SCHEMBL342708

CC(C)(C)OC(=O)NC(CC(=O)O)Cc1cc(F)c(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.43
ATM Q13315 1/20 0.43
CTSS P25774 6/20 0.42
CTSK P43235 4/20 0.42
AAK1 Q2M2I8 1/20 0.42
PTPN1 P18031 1/20 0.39
ACE P12821 1/20 0.37
KLK5 Q9Y337 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
TRPA1 O75762 1/20 0.36
PIN1 Q13526 1/20 0.36
APP P05067 1/20 0.36
SYK P43405 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
SCHEMBL29364846 1.00 DPP4 (0.43) DPP4ATMCTSSCTSKAAK1
SCHEMBL28759095 1.00 DPP4 (0.43) DPP4ATMCTSSCTSKAAK1
SCHEMBL342707 1.00 DPP4 (0.43) DPP4ATMCTSSCTSKAAK1
SCHEMBL27791284 0.91 DPP4 (0.40) DPP4ATMCTSSCTSKAAK1
SCHEMBL571933 0.91 CTSS (0.41) DPP4ATMCTSSCTSKAAK1
SCHEMBL10057576 0.91 CTSS (0.41) DPP4ATMCTSSCTSKAAK1
SCHEMBL1509212 0.90 AAK1 (0.45) DPP4ATMCTSSCTSKAAK1
SCHEMBL2364292 0.90 AAK1 (0.45) DPP4ATMCTSSCTSKAAK1
SCHEMBL344600 0.90 DPP4 (0.43) DPP4ATMCTSSCTSKAAK1
SCHEMBL19500634 0.90 DPP4 (0.43) DPP4ATMCTSSCTSKAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119019471-A Fluorine-containing cytidine guanidine compound, and preparation method and application thereof 沈阳农业大学 2024-11-26 CN claimed
CN-113121540-B Synthesis method of sitagliptin free alkali 鲁南制药集团股份有限公司 2024-01-26 CN claimed
CN-115385919-A Synthetic method of sitagliptin 江苏阿尔法药业股份有限公司 2022-11-25 CN claimed
CN-109096133-B 3-amino-4- (2,4, 5-trifluorophenyl) menthyl butyrate hydrochloride and preparation method and application thereof 宁波职业技术学院 2022-06-07 CN claimed
CN-113121540-A Synthesis method of sitagliptin free alkali 鲁南制药集团股份有限公司 2021-07-16 CN claimed
US-9233967-B2 Process for the preparation of sitagliptin and intermediate compounds CIPLA LIMITED (IN) 2016-01-12 US claimed
US-20150197523-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND INTERMEDIATE COMPOUNDS CIPLA LIMITED (IN) 2015-07-16 US claimed
EP-2882752-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND INTERMEDIATE COMPOUNDS Cipla Limited (IN) 2015-06-17 EP claimed
WO-2014086325-A1 A METHOD OF PREPARING 3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOIC ACID DERIVATIVES ZENTIVA, K.S. (CZ) 2014-06-12 WO claimed
WO-2014023930-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND INTERMEDIATE COMPOUNDS CIPLA LIMITED (IN) 2014-02-13 WO claimed
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 WO claimed
US-20090192326-A1 Preparation of sitagliptin intermediate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-30 US claimed
WO-2009064476-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-22 WO claimed
CN-119698278-A Small molecule modulators of alveolar type 2 cell proliferation for the treatment of pulmonary diseases 斯克里普斯研究学院 2025-03-25 CN disclosed
CN-119019471-A Fluorine-containing cytidine guanidine compound, and preparation method and application thereof 沈阳农业大学 2024-11-26 CN disclosed
CN-118908861-A Preparation method of Boc- (R) -3-amino-4- (2, 4, 5-trifluorophenyl) butyric acid, intermediate I and preparation method thereof 台州达辰药业有限公司 2024-11-08 CN disclosed
EP-1583534-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-10-12 EP disclosed
EP-1554280-A2 ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS Merck & Co., Inc. (US) 2005-07-20 EP disclosed
WO-2004058266-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-07-15 WO disclosed
WO-2004032836-A2 ANTIDIABETIC BETA-AMINO HETEROCYLCIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO., INC. (US) 2004-04-22 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-20090192326-A1 Preparation of sitagliptin intermediate DPP4, DPP7, DPP3 DPP4 1/4885ATM 2081/4885CTSS 1611/4885
US-20150197523-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND INTERMEDIATE COMPOUNDS DPP4, DPP7, DPP9 DPP4 1/4885ATM 3694/4885CTSS 1668/4885

“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.