SCHEMBL15928871

SCHEMBL15928871

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.56
HDAC3 O15379 7/20 0.42
HDAC4 P56524 7/20 0.42
HDAC1 Q13547 7/20 0.42
HDAC7 Q8WUI4 7/20 0.42
HDAC2 Q92769 7/20 0.42
HDAC10 Q969S8 7/20 0.42
HDAC11 Q96DB2 7/20 0.42
HDAC8 Q9BY41 7/20 0.42
HDAC6 Q9UBN7 7/20 0.42
HDAC9 Q9UKV0 7/20 0.42
HDAC5 Q9UQL6 7/20 0.42
TRAP1 Q12931 1/20 0.41
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35
MEN1 O00255 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL15928865 0.98 PTGS2 (0.53) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15928942 0.93 PTGS2 (0.51) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15928893 0.91 PTGS2 (0.54) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL19341431 0.91 PTGS2 (0.48) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15928879 0.89 PTGS2 (0.42) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15928938 0.89 PTGS2 (0.42) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL19341437 0.88 HDAC3 (0.41) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL17361318 0.87 HDAC3 (0.47) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15928835 0.87 PTGS2 (0.48) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15928985 0.87 HDAC3 (0.43) PTGS2HDAC3HDAC4HDAC1HDAC7

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 PTGS2 4/4885HDAC3 1591/4885HDAC4 1329/4885
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 PTGS2 9/4885HDAC3 1246/4885HDAC4 1569/4885
US-10450260-B2 NO- and H2S-releasing compounds NOS2, NOS3, NOS1 PTGS2 9/4885HDAC3 1246/4885HDAC4 1569/4885
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors NOS2, NOS1, HSF1 PTGS2 6/4885HDAC3 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.