SCHEMBL268952

SCHEMBL268952

CC(C)(C)OC(=O)NC(Cc1cc(F)ccc1F)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
CTSS P25774 5/20 0.55
CTSK P43235 5/20 0.55
ACE P12821 2/20 0.52
SCN9A Q15858 3/20 0.51
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
PPARA Q07869 6/20 0.45
PPARG P37231 5/20 0.45
PPARD Q03181 2/20 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
SCHEMBL1509242 1.00 PTPN1 (0.55) PTPN1CTSSCTSKACESCN9A
SCHEMBL268951 1.00 PTPN1 (0.55) PTPN1CTSSCTSKACESCN9A
SCHEMBL5845045 0.90 CTSS (0.55) PTPN1CTSSCTSKACESCN9A
SCHEMBL30461851 0.90 CTSS (0.55) PTPN1CTSSCTSKACESCN9A
SCHEMBL5845049 0.90 CTSS (0.55) PTPN1CTSSCTSKACESCN9A
SCHEMBL5318364 0.90 CTSS (0.55) PTPN1CTSSCTSKACESCN9A
SCHEMBL269302 0.89 CTSS (0.51) PTPN1CTSSCTSKACESCN9A
SCHEMBL269301 0.89 CTSS (0.51) PTPN1CTSSCTSKACESCN9A
SCHEMBL268699 0.89 PTPN1 (0.54) PTPN1CTSSCTSKACESCN9A
SCHEMBL27203758 0.89 ACE (0.51) 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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-29 US disclosed
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-12-05 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
EP-4043478-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITING ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-08-17 EP disclosed
CN-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 CN disclosed
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-20170348309-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2017-12-07 US disclosed
US-20150359793-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2015-12-17 US disclosed
EP-2292232-B1 BETA-AMINO TETRAHYDROIMIDAZO(1,2-A)PYRAZINES AND TETRAHYDROTRIAZOLO(4,3-A)PYRAZINES FOR USE IN THE TREATMENT OF DIABETES TYPE II MERCK SHARP & DOHME (US) 2014-08-20 EP disclosed
US-20130217695-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP. (US) 2013-08-22 US disclosed
WO-2004103276-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-12-02 WO disclosed
US-20040167133-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 SHARP & DOHME LLC 2004-08-26 US disclosed
WO-2004069162-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-08-19 WO 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20130217695-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-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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS PTPN1 201/4885CTSS 2182/4885CTSK 1790/4885
US-20150359793-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-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS PTPN1 201/4885CTSS 2182/4885CTSK 1790/4885
US-20040167133-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 DPP4, DPP3, DPP7 PTPN1 2055/4885CTSS 1545/4885CTSK 1571/4885
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-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS PTPN1 201/4885CTSS 2182/4885CTSK 1790/4885
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.