SCHEMBL561844

SCHEMBL561844

CC(C)(C)C(=O)OCC(N)=S

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.32
ELANE P08246 1/20 0.31

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
SCHEMBL6205519 0.81 PRKCA (0.41) PRKCAPOLBGAANPSR1LMNA
SCHEMBL15928824 0.79 PRKCA (0.39) PRKCAPOLBGAANPSR1ELANE
SCHEMBL7348878 0.79 PRKCA (0.39) PRKCAPOLBGAANPSR1ELANE
SCHEMBL28019636 0.75 PRKCA (0.43) PRKCAPOLBGAANPSR1ELANE
SCHEMBL12345765 0.74 TSHR (0.42) PRKCAPOLBGAANPSR1LMNA
SCHEMBL8816807 0.73 PRKCA (0.42) PRKCAPOLBGAANPSR1LMNA
SCHEMBL9866275 0.73 PRKCA (0.42) PRKCAPOLBGAANPSR1ELANE
SCHEMBL13647509 0.73 MAPK1 (0.47) PRKCAPOLBGAANPSR1ELANE
SCHEMBL3517297 0.73 PRKCA (0.42) PRKCAPOLBGAANPSR1LMNA
SCHEMBL6618960 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450260-B2 NO- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2019-10-22 US disclosed
EP-1663973-B3 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2019-09-25 EP disclosed
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 US disclosed
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 US disclosed
EP-3290417-A1 2-CHLORO-N-[2-(1,3-THIAZOL-5-YL)ETHYL]-5-(5-FLUOROPYRIMIDIN-2-YL)-BENZAMIDES AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS AXXAM S.p.A. (IT) 2018-03-07 EP disclosed
EP-3290417-A1 2-CHLORO-N-[2-(1,3-THIAZOL-5-YL)ETHYL]-5-(5-FLUOROPYRIMIDIN-2-YL)-BENZAMIDES AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS AXXAM S.p.A. (IT) 2018-03-07 EP disclosed
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2017-09-14 US disclosed
US-9688607-B2 No- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-06-27 US disclosed
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors CYPRUS UNIVERSITY OF TECHNOLOGY (CY) 2017-06-22 US disclosed
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors CYPRUS UNIVERSITY OF TECHNOLOGY (CY) 2017-06-22 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed
WO-2002083656-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND USE THEREOF AS MAO INHIBITORS AND LIPID PEROXIDATION INHIBITORS, PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-10-24 WO disclosed
WO-2002080928-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-10-17 WO disclosed
EP-1228760-A2 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-07 EP disclosed
EP-1223933-A2 5-MEMBERED HETEROCYCLE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-24 EP disclosed
US-20020028815-A1 Novel multicyclic compounds and the use thereof CEPHALON, INC. 2002-03-07 US disclosed
WO-2001085686-A2 MULTICYCLIC COMPOUNDS AND THE USE AS INHIBITORS OF PARP, VEGFR2 AND MLK3 ENZYMES CEPHALON, INC. (US) 2001-11-15 WO disclosed
WO-2001026656-A2 5-MEMBERED HETEROCYCLE DERIVATIVES AND USE THEREOF AS MONOAMINE OXIDASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-04-19 WO disclosed
EP-1003748-A2 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 2000-05-31 EP disclosed
WO-1999012933-A2 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1999-03-18 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 (5 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-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 PRKCA 1661/4885POLB 3358/4885GAA 3291/4885
US-10450260-B2 NO- and H2S-releasing compounds NOS2, NOS3, NOS1 PRKCA 1661/4885POLB 3358/4885GAA 3291/4885
US-20020028815-A1 Novel multicyclic compounds and the use thereof MLKL, PARP3, PARP1 PRKCA 399/4885POLB 625/4885GAA 1180/4885
US-10023555-B2 NSAIDs derivatives and uses thereof PTGES, PTGES3, PTGS1 PRKCA 3453/4885POLB 4736/4885GAA 3531/4885
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors NOS2, NOS1, HSF1 PRKCA 1417/4885POLB 2444/4885GAA 3348/4885

“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.