SCHEMBL15928824

SCHEMBL15928824

CC(=S)COC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.39
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BTN3A1 O00481 4/20 0.33
ELANE P08246 3/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
TK1 P04183 1/20 0.30

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
SCHEMBL7348878 0.81 PRKCA (0.39) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL3517297 0.80 PRKCA (0.42) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL8816807 0.80 PRKCA (0.42) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL561844 0.79 PRKCA (0.38) PRKCAPOLBGAANPSR1ELANE
SCHEMBL28019636 0.77 PRKCA (0.43) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL9714746 0.76 PRKCA (0.39) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL13647509 0.75 MAPK1 (0.47) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL9866275 0.75 PRKCA (0.42) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL7089654 0.75 PRKCA (0.42) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL15976179 0.74 BTN3A1 (0.39) PRKCAPOLBGAANPSR1BTN3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 US 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-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2015-12-31 US disclosed
US-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 US 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-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS PTGS1, NOS2, NOS1 PRKCA 1435/4885POLB 4346/4885GAA 2445/4885
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 PRKCA 1661/4885POLB 3358/4885GAA 3291/4885
US-10023555-B2 NSAIDs derivatives and uses thereof PTGES, PTGES3, PTGS1 PRKCA 3453/4885POLB 4736/4885GAA 3531/4885
US-20150376162-A1 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.