SCHEMBL4117141

SCHEMBL4117141

CC(C)(C)OC(=O)NC(C(=O)O)C(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.51
CTSS P25774 1/20 0.51
APP P05067 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
GABRB1 P18505 1/20 0.45
GABRB2 P47870 1/20 0.45
MAPT P10636 1/20 0.45
PPARA Q07869 3/20 0.45
PPARG P37231 2/20 0.45
ATM Q13315 1/20 0.45
ACE P12821 1/20 0.44
PPARD Q03181 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
SCHEMBL8380269 1.00 CTSK (0.51) CTSKCTSSAPPCA1CA2
SCHEMBL4117143 1.00 CTSK (0.51) CTSKCTSSAPPCA1CA2
SCHEMBL3184905 1.00 CTSK (0.51) CTSKCTSSAPPCA1CA2
SCHEMBL30641554 0.93 KLK5 (0.48) CTSKCTSSAPPCA1CA2
SCHEMBL18938358 0.92 CTSS (0.48) CTSKCTSSAPPPPARAPPARG
SCHEMBL9854732 0.89 CTSS (0.46) CTSKCTSSAPPATM
SCHEMBL23158638 0.88 CTSK (0.49) CTSKCTSSAPPGABRB1GABRB2
SCHEMBL8895040 0.88 KLK5 (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL8231291 0.88 KLK5 (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL12069801 0.88 KLK5 (0.51) CTSKCTSSGABRB1GABRB2MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-117304129-A Azaalkanone derivative or pharmaceutically acceptable salt thereof, preparation method and application thereof, and pharmaceutical composition 中国医学科学院医药生物技术研究所 2023-12-29 CN 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-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-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
EP-3008056-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2016-04-20 EP disclosed
US-8987504-B2 Aminohydroxylation of alkenes VICTORIA LINK LIMITED (NZ) 2015-03-24 US disclosed
WO-2014201172-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2014-12-18 WO disclosed
US-20130274479-A1 AMINOHYDROXYLATION OF ALKENES INDUSTRIAL RESEARCH LIMITED (NZ) 2013-10-17 US disclosed
WO-2011159177-A1 IMPROVED AMINOHYDROXYLATION OF ALKENES INDUSTRIAL RESEARCH LIMITED (NZ) 2011-12-22 WO disclosed
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1483284-A2 SELECTIVE DIPEPTIDE INHIBITORS OF KALLIKREIN Ferring BV (NL) 2004-12-08 EP disclosed
WO-2003076458-A2 SELECTIVE DIPEPTIDE INHIBITORS OF KALLIKREIN FERRING BV (NL) 2003-09-18 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-20130274479-A1 AMINOHYDROXYLATION OF ALKENES ALKBH3, ALKBH1, ALKBH2 CTSK 579/4885CTSS 2286/4885APP 1605/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 CTSK 2329/4885CTSS 2224/4885APP 94/4885

“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.