SCHEMBL268723

SCHEMBL268723

Cc1cccc(CC(NC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.65
CTSS P25774 6/20 0.57
CTSK P43235 5/20 0.57
CTSB P07858 4/20 0.57
CTSL P07711 2/20 0.56
PTPN1 P18031 1/20 0.56
PPARA Q07869 3/20 0.54
PPARG P37231 2/20 0.54
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
ITGB1 P05556 1/20 0.52
ITGAV P06756 1/20 0.52
ITGB5 P18084 1/20 0.52
JAK2 O60674 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL268722 1.00 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL29907894 1.00 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL16423 1.00 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL3704551 0.88 ACE (0.60) ACECTSSCTSKCTSBCTSL
SCHEMBL3704550 0.88 ACE (0.60) ACECTSSCTSKCTSBCTSL
SCHEMBL5529843 0.88 REN (0.61) ACECTSSCTSKCTSBCTSL
SCHEMBL21409100 0.88 CTSK (0.57) ACECTSSCTSKCTSBCTSL
SCHEMBL8241449 0.88 CTSK (0.57) ACECTSSCTSKCTSBCTSL
SCHEMBL12305798 0.88 CTSK (0.57) ACECTSSCTSKCTSBCTSL
SCHEMBL3731261 0.87 CTSS (0.73) ACECTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428403-B2 N-(heterocyclyl and heterocyclylalkyl)-3-benzylpyridin-2-amine derivatives as SSTR4 agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-09-30 US disclosed
CN-115485273-B N- (heterocyclyl and heterocyclylalkyl) -3-benzyl pyridin-2-amine derivatives as SSTR4 agonists 武田药品工业株式会社 2024-08-13 CN disclosed
US-20240057599-A1 METHODS FOR IMPROVING FRUIT QUALITY THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2024-02-22 US disclosed
US-11812746-B2 Method of controlling fungal infections in plants THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2023-11-14 US disclosed
US-20230192659-A1 N-(HETEROCYCLYL AND HETEROCYCLYLALKYL)-3-BENZYLPYRIDIN-2-AMINE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-22 US disclosed
WO-2023102140-A1 TMPRSS2 INHIBITORS AND METHODS OF USE TOPSPIN THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
EP-4126849-A1 N-(HETEROCYCLYL AND HETEROCYCLYLALKYL)-3-BENZYLPYRIDIN-2-AMINE DERIVATIVES AS SSTR4 AGONISTS Takeda Pharmaceutical Company Limited (JP) 2023-02-08 EP disclosed
CN-115485273-A N- (heterocyclyl and heterocyclylalkyl) -3-benzylpyridin-2-amine derivatives as SSTR4 agonists 武田药品工业株式会社 2022-12-16 CN disclosed
WO-2021202775-A1 N-(HETEROCYCLYL AND HETEROCYCLYLALKYL)-3-BENZYLPYRIDIN-2-AMINE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-10-07 WO disclosed
US-11001555-B2 Difluoroketamide derivatives as HTRA1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2021-05-11 US disclosed
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers EURO-CELTIQUE S.A. (LU) 2009-04-23 US disclosed
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 US disclosed
EP-1912946-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS Eli Lilly and Company (US) 2008-04-23 EP disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 US disclosed
EP-1814851-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-08 EP disclosed
WO-2007015767-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed
CN-1273444-C Dipeptide nitriles NOVARTIS AG (CH) 2006-09-06 CN disclosed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 WO disclosed
CN-1278244-A Dipeptide nitriles NOVARTIS AG (CH) 2000-12-27 CN 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 (7 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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF ACE 1322/4885CTSS 1187/4885CTSK 1484/4885
US-11001555-B2 Difluoroketamide derivatives as HTRA1 inhibitors HTRA1, HTR1A, HTR1F ACE 1406/4885CTSS 1318/4885CTSK 829/4885
US-12428403-B2 N-(heterocyclyl and heterocyclylalkyl)-3-benzylpyridin-2-amine derivatives as SSTR4 agonists SSTR4, SSTR3, SSTR1 ACE 2486/4885CTSS 1991/4885CTSK 2395/4885
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors DPP4, DPP3, DPP7 ACE 135/4885CTSS 1680/4885CTSK 2589/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC ACE 600/4885CTSS 1869/4885CTSK 1094/4885
US-20230192659-A1 N-(HETEROCYCLYL AND HETEROCYCLYLALKYL)-3-BENZYLPYRIDIN-2-AMINE DERIVATIVES AS SSTR4 AGONISTS SSTR4, SSTR3, SSTR1 ACE 2486/4885CTSS 1991/4885CTSK 2395/4885
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers CACNA1A, CACNA1E, CACNA1B ACE 1905/4885CTSS 890/4885CTSK 1942/4885

“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.