SCHEMBL503473

SCHEMBL503473

CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.52
CTSS P25774 3/20 0.52
GABRB1 P18505 1/20 0.46
GABRB2 P47870 1/20 0.46
MAPT P10636 1/20 0.46
PPARA Q07869 5/20 0.46
PPARG P37231 4/20 0.46
ATM Q13315 1/20 0.46
ACE P12821 1/20 0.45
PPARD Q03181 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
APP P05067 1/20 0.44

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
SCHEMBL2187825 1.00 CTSK (0.52) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL2187819 1.00 CTSK (0.52) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL29701907 0.94 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL29702002 0.94 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL18796456 0.92 S1PR3 (0.48) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL8827211 0.89 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL22425318 0.88 CTSK (0.47) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL1883313 0.88 CTSK (0.50) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL4799307 0.87 CTSS (0.47) CTSKCTSSGABRB1GABRB2PPARA
SCHEMBL3640281 0.87 CTSK (0.52) 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-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME UNIV NEW YORK (US) 2024-06-13 US disclosed
US-20240049709-A1 METHOD OF CONTROLLING FUNGAL INFECTIONS IN PLANTS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION, (A.R.O), THE VOLCANI INSTITUTE (IL) 2024-02-15 US disclosed
US-11891422-B2 NEMO coiled coil mimics and methods of using same NEW YORK UNIVERSITY (US) 2024-02-06 US disclosed
US-20210277059-A1 STABILIZED MINIMAL COILED-COIL MIMETICS UNIV NEW YORK (US) 2021-09-09 US disclosed
US-10851133-B2 Stabilized minimal coiled-coil mimetics NEW YORK UNIVERSITY (US) 2020-12-01 US disclosed
US-20200190155-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME NEW YORK UNIVERSITY 2020-06-18 US disclosed
US-20180162907-A1 STABILIZED MINIMAL COILED-COIL MIMETICS NEW YORK UNIVERSITY 2018-06-14 US disclosed
US-8445678-B2 2-quinoxalinol salen compounds and uses thereof AUBURN UNIVERSITY (US) 2013-05-21 US disclosed
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF AUBURN UNIVERSITY (US) 2012-02-02 US disclosed
US-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof AUBURN UNIVERSITY (US) 2009-11-19 US disclosed
EP-1050534-B1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2001-12-05 EP disclosed
US-6288077-B1 2-AZABICYCLO(3.1.0)HEXANE-1,2-DICARBOXYLIC AMIDE OR 2-AZABICYCLO(4.1.0)HEPTANE-1,2-DICARBOXYLIC AMIDE DERIVATIVE; TRYPSIN-LIKE SERINE PROTEASE INHIBITOR; ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 2001-09-11 US disclosed
EP-1050534-A1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-11-08 EP 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 (8 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-10851133-B2 Stabilized minimal coiled-coil mimetics COIL, CALCOCO2, CRYZ CTSK 4327/4885CTSS 3205/4885GABRB1 1723/4885
US-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof NQO1, NQO2, SQOR CTSK 2799/4885CTSS 3244/4885GABRB1 3616/4885
US-20210277059-A1 STABILIZED MINIMAL COILED-COIL MIMETICS COIL, CALCOCO2, CRYZ CTSK 4327/4885CTSS 3205/4885GABRB1 1723/4885
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF NQO1, NQO2, SQOR CTSK 2799/4885CTSS 3244/4885GABRB1 3616/4885
US-11891422-B2 NEMO coiled coil mimics and methods of using same COIL, CALCOCO2, NCAPH CTSK 4487/4885CTSS 4120/4885GABRB1 968/4885
US-20200190155-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME COIL, CALCOCO2, NCAPH CTSK 4487/4885CTSS 4120/4885GABRB1 968/4885
US-20180162907-A1 STABILIZED MINIMAL COILED-COIL MIMETICS COIL, CALCOCO2, CRYZ CTSK 4327/4885CTSS 3205/4885GABRB1 1723/4885
US-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME COIL, CALCOCO2, NCAPH CTSK 4515/4885CTSS 4194/4885GABRB1 946/4885

“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.