SCHEMBL268722

SCHEMBL268722

Cc1cccc(C[C@@H](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
SCHEMBL29907894 1.00 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL268723 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104910046-B Phenylacetylene derivative with double chiral carbon atoms on pendant group and preparation method and application thereof 哈尔滨工程大学 2017-05-24 CN claimed
CN-104910039-A Functional phenylacetylene compound and preparation method thereof UNIV HARBIN ENG 2015-09-16 CN claimed
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
WO-2023102140-A1 TMPRSS2 INHIBITORS AND METHODS OF USE TOPSPIN THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
US-20200383327-A1 METHOD OF IMPROVING PLANT PERFORMANCE THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2020-12-10 US disclosed
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-20190246639-A1 METHOD OF CONTROLLING FUNGAL INFECTIONS IN PLANTS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCHORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2019-08-15 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 WO disclosed
CN-104910046-B Phenylacetylene derivative with double chiral carbon atoms on pendant group and preparation method and application thereof 哈尔滨工程大学 2017-05-24 CN disclosed
US-8133907-B2 Type II diabetes, obesity, hyperglycemia and a lipid disorder selected from dyslipidemia, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, low HDL and high LDL; additionally comprising metformin ELI LILLY AND COMPANY (US) 2012-03-13 US disclosed
WO-2012004678-A2 SERINE PROTEASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-01-12 WO disclosed
EP-1912946-B1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1912946-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS Eli Lilly and Company (US) 2008-04-23 EP disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 US disclosed
WO-2007015767-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-02-08 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 (4 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-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide GALE, ENGASE, UGGT1 ACE 128/4885CTSS 1105/4885CTSK 2645/4885
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors DPP4, DPP3, DPP7 ACE 135/4885CTSS 1680/4885CTSK 2589/4885
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 ACE 4424/4885CTSS 2857/4885CTSK 2898/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 ACE 3988/4885CTSS 2520/4885CTSK 2560/4885

“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.