SCHEMBL9915084

SCHEMBL9915084

CC(=O)SNC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50
ALOX15 P16050 1/20 0.50
HDAC1 Q13547 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL27515367 0.85 ALOX15 (0.56) HDAC3CA12CA1IDO1ALOX15
SCHEMBL9274738 0.81 ALOX15 (0.52) HDAC3CA12CA1IDO1ALOX15
SCHEMBL11570198 0.79 HDAC3 (0.50) HDAC3CA12CA1IDO1ALOX15
SCHEMBL9915086 0.79 ALDH1A1 (0.49) HDAC3CA12CA1IDO1ALOX15
SCHEMBL9915160 0.79 MDM4 (0.54) HDAC3CA12CA1IDO1ALOX15
SCHEMBL9617020 0.79 HDAC3 (0.45) HDAC3CA12CA1IDO1ALOX15
SCHEMBL9915085 0.79 NPC1 (0.46) HDAC3CA12CA1IDO1ALOX15
SCHEMBL7820075 0.78 HDAC3 (0.54) HDAC3CA12CA1IDO1ALOX15
SCHEMBL28343144 0.78 ALOX15 (0.58) HDAC3CA12CA1IDO1ALOX15
SCHEMBL3946799 0.78 ALOX15 (0.58) HDAC3CA12CA1IDO1ALOX15

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 HDAC3 604/4885CA12 3392/4885CA1 1401/4885

“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.