SCHEMBL9915086

SCHEMBL9915086

CCC(=O)SNC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NAAA Q02083 1/20 0.49
CES1 P23141 2/20 0.46
CES2 O00748 1/20 0.46
ALOX15 P16050 2/20 0.45
HDAC3 O15379 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
IDO1 P14902 1/20 0.45
HDAC1 Q13547 1/20 0.45
CA9 Q16790 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
RAB9A P51151 4/20 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
SCHEMBL9915116 0.86 NAAA (0.50) ALDH1A1GAASMN1; SMN2NAAACES1
SCHEMBL11568737 0.84 ALDH1A1 (0.55) ALDH1A1GAASMN1; SMN2NAAACES1
SCHEMBL9915105 0.80 NPC1 (0.49) GAASMN1; SMN2CES1CES2ALOX15
SCHEMBL27515367 0.80 ALOX15 (0.56) ALDH1A1GAASMN1; SMN2CES1CES2
SCHEMBL9915084 0.79 HDAC3 (0.50) ALDH1A1GAASMN1; SMN2CES1CES2
SCHEMBL11572800 0.77 HDAC1 (0.49) ALDH1A1GAASMN1; SMN2NAAAALOX15
SCHEMBL10445377 0.77 GAA (0.50) ALDH1A1GAASMN1; SMN2NAAACES1
SCHEMBL9274738 0.76 ALOX15 (0.52) ALDH1A1GAASMN1; SMN2CES1ALOX15
SCHEMBL9915104 0.76 POLB (0.53) GAASMN1; SMN2NAAAALOX15HDAC3
SCHEMBL11570689 0.75 SMN1; SMN2 (0.57) ALDH1A1GAASMN1; SMN2HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096504-B2 Controlled chemical release of hydrogen sulfide WASHINGTON STATE UNIVERSITY (US) 2015-08-04 US disclosed
US-20130253051-A1 CONTROLLED CHEMICAL RELEASE OF HYDROGEN SULFIDE WASHINGTON STATE UNIVERSITY (US) 2013-09-26 US disclosed
WO-2012075242-A2 CONTROLLED CHEMICAL RELEASE OF HYDROGEN SULFIDE WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-07 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 (1 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-20130253051-A1 CONTROLLED CHEMICAL RELEASE OF HYDROGEN SULFIDE GSR, AR, GRHPR ALDH1A1 2368/4885GAA 3647/4885SMN1; SMN2 407/4885

“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.