SCHEMBL15928890

SCHEMBL15928890

O=C(CCC(=O)Oc1ccccc1C(=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccc(-c2cc(=S)ss2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 1/20 0.46
HDAC3 O15379 7/20 0.44
HDAC4 P56524 7/20 0.44
HDAC1 Q13547 7/20 0.44
HDAC7 Q8WUI4 7/20 0.44
HDAC2 Q92769 7/20 0.44
HDAC10 Q969S8 7/20 0.44
HDAC11 Q96DB2 7/20 0.44
HDAC8 Q9BY41 7/20 0.44
HDAC6 Q9UBN7 7/20 0.44
HDAC9 Q9UKV0 7/20 0.44
HDAC5 Q9UQL6 7/20 0.44
PTGS2 P35354 4/20 0.43
PTGS1 P23219 2/20 0.39
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
PGR P06401 1/20 0.32
ADRB2 P07550 1/20 0.32

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
SCHEMBL15928984 0.93 PTGS2 (0.43) TRAP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15928903 0.87 HDAC3 (0.40) TRAP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15928893 0.86 PTGS2 (0.54) TRAP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15928870 0.85 TRAP1 (0.47) TRAP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15928910 0.83 TRAP1 (0.49) TRAP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15928891 0.83 TRAP1 (0.49) TRAP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19341433 0.83 TRAP1 (0.45) TRAP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19341436 0.83 HDAC3 (0.45) TRAP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15928908 0.82 PTGS2 (0.42) TRAP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15928835 0.82 PTGS2 (0.48) TRAP1HDAC3HDAC4HDAC1HDAC7

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 5 patents. 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
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-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 (4 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 TRAP1 639/4885HDAC3 1591/4885HDAC4 1329/4885
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 TRAP1 720/4885HDAC3 1246/4885HDAC4 1569/4885
US-10450260-B2 NO- and H2S-releasing compounds NOS2, NOS3, NOS1 TRAP1 720/4885HDAC3 1246/4885HDAC4 1569/4885
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors NOS2, NOS1, HSF1 TRAP1 77/4885HDAC3 3014/4885HDAC4 2768/4885

“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.