SCHEMBL1509372

SCHEMBL1509372

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
CTSS P25774 8/20 0.52
CTSK P43235 6/20 0.52
ACE P12821 2/20 0.52
SCN9A Q15858 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
DPP4 P27487 1/20 0.45
PPARA Q07869 6/20 0.44
PPARG P37231 5/20 0.44
PPARD Q03181 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL1509374 1.00 PTPN1 (0.53) PTPN1CTSSCTSKACESCN9A
SCHEMBL18124300 1.00 PTPN1 (0.53) PTPN1CTSSCTSKACESCN9A
SCHEMBL29398092 1.00 PTPN1 (0.53) PTPN1CTSSCTSKACESCN9A
SCHEMBL30599288 1.00 PTPN1 (0.53) PTPN1CTSSCTSKACESCN9A
SCHEMBL29162457 0.91 PTPN1 (0.50) PTPN1CTSSCTSKACESCN9A
SCHEMBL1509413 0.90 PTPN1 (0.49) PTPN1CTSSCTSKACESCN9A
SCHEMBL1509411 0.90 PTPN1 (0.49) PTPN1CTSSCTSKACESCN9A
SCHEMBL16448118 0.89 PTPN1 (0.48) PTPN1CTSSCTSKACESCN9A
SCHEMBL5634343 0.88 PTPN1 (0.43) PTPN1CTSSCTSKACESCN9A
SCHEMBL5634348 0.88 PTPN1 (0.43) PTPN1CTSSCTSKACESCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200206221-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP. (US) 2020-07-02 US disclosed
US-10450315-B2 Process for the preparation of dipeptidyl peptidase-4 (DPP-4) enzyme inhibitor LEE PHARMA LIMITED (IN) 2019-10-22 US disclosed
US-20170348309-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2017-12-07 US disclosed
EP-2935205-B1 AN ENZYMATIC ROUTE FOR THE PREPARATION OF CHIRAL GAMMA-ARYL-BETA-AMINOBUTYRIC ACID DERIVATIVES LEK PHARMACEUTICALS (SI) 2017-03-01 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-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-20160194680-A1 Enzymatic Route For The Preparation Of Chiral Gamma-Aryl-Beta-Aminobutyric Acid Derivatives LEK PHARMACEUTICALS D.D. (SI) 2016-07-07 US disclosed
US-20160194680-A1 Enzymatic Route For The Preparation Of Chiral Gamma-Aryl-Beta-Aminobutyric Acid Derivatives LEK PHARMACEUTICALS D.D. (SI) 2016-07-07 US disclosed
US-9249109-B2 Method for preparing dipeptidyl peptidase-IV inhibitor and intermediate DONG-A PHARMACEUTICAL CO., LTD. (KR) 2016-02-02 US disclosed
WO-2004064778-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO. INC. (US) 2004-08-05 WO 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-2004037169-A2 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-05-06 WO disclosed
EP-1412357-A1 BETA-AMINO TETRAHYDROIMIDAZO(1,2-A)PYRAZINES AND TETRAHYDROTRIAZOLO(4,3-A)PYRAZINES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2004-04-28 EP disclosed
WO-2004032836-A2 ANTIDIABETIC BETA-AMINO HETEROCYLCIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO disclosed
US-6699871-B2 SUCH AS 7-((3R)-3-AMINO-4-(3,4-DIFLUOROPHENYL)BUTANOYL)-2-(TRIFLUOROMETHYL)-5,6,7,8 -TETRAHYDROIMIDAZO(1,2-A)PYRAZINE DIHYDROCHLORIDE FOR TREATMENT OF INSULIN RESISTANCE DISORDERS MERCK & CO., INC. 2004-03-02 US disclosed
WO-2004007468-A1 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2004-01-22 WO disclosed
WO-2003082817-A2 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2003-10-09 WO disclosed
US-20030100563-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes SALZUFER HOLDING INC., AS ADMINISTRATIVE AGENT 2003-05-29 US disclosed
WO-2003004498-A1 BETA-AMINO TETRAHYDROIMIDAZO (1, 2-A) PYRAZINES AND TETRAHYDROTRIOAZOLO (4, 3-A) PYRAZINES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2003-01-16 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 (5 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-20200206221-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 PTPN1 2811/4885CTSS 702/4885CTSK 820/4885
US-20030100563-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 PTPN1 2764/4885CTSS 806/4885CTSK 980/4885
US-20160194680-A1 Enzymatic Route For The Preparation Of Chiral Gamma-Aryl-Beta-Aminobutyric Acid Derivatives GABRB1, GABRB2, GABRB3 PTPN1 3426/4885CTSS 848/4885CTSK 1259/4885
US-10450315-B2 Process for the preparation of dipeptidyl peptidase-4 (DPP-4) enzyme inhibitor DPP4, DPP7, DPP3 PTPN1 961/4885CTSS 549/4885CTSK 526/4885
US-20170348309-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 PTPN1 2811/4885CTSS 702/4885CTSK 820/4885

“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.