SCHEMBL9915085

SCHEMBL9915085

CC(C)(C)C(=O)SNC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 3/20 0.46
HDAC3 O15379 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
IDO1 P14902 1/20 0.45
ALOX15 P16050 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
SMN1; SMN2 Q16637 4/20 0.45
CYP2C9 P11712 3/20 0.45
EPHX1 P07099 1/20 0.45

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 0.80 ALOX15 (0.56) NPC1RAB9APOLBHDAC3CA12
SCHEMBL9915084 0.79 HDAC3 (0.50) NPC1RAB9ALMNAPOLBHDAC3
SCHEMBL28230968 0.77 NPC1 (0.53) NPC1RAB9ALMNAPOLBHDAC3
SCHEMBL9274738 0.76 ALOX15 (0.52) NPC1RAB9APOLBHDAC3CA12
SCHEMBL19002182 0.76 KCNK9 (0.55) NPC1RAB9ALMNAPOLBHDAC1
SCHEMBL27925851 0.76 NPC1 (0.47) NPC1RAB9ALMNAPOLBHDAC3
SCHEMBL11570198 0.75 HDAC3 (0.50) NPC1RAB9ALMNAPOLBHDAC3
SCHEMBL9915160 0.74 MDM4 (0.54) NPC1RAB9ALMNAHDAC3CA12
SCHEMBL9617020 0.74 HDAC3 (0.45) NPC1RAB9APOLBHDAC3CA12
SCHEMBL9915086 0.74 ALDH1A1 (0.49) NPC1RAB9ALMNAPOLBHDAC3

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 NPC1 2731/4885RAB9A 3033/4885LMNA 4135/4885

“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.