SCHEMBL15929189

SCHEMBL15929189

CC(C)Cc1ccc(C(C)C(=O)Oc2ccc(OC(=O)CC(CO[N+](=O)[O-])O[N+](=O)[O-])c(C(=O)Oc3ccc(C(N)=S)cc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.48
PTGS1 P23219 4/20 0.40
FAAH O00519 1/20 0.33
EPHX1 P07099 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL21498316 0.89 MAPT (0.43) PTGS2PTGS1EPHX1MAPTKMT2A
SCHEMBL15929175 0.86 PTGS2 (0.42) PTGS2PTGS1FAAHEPHX1
SCHEMBL15929054 0.85 PTGS2 (0.45) PTGS2PTGS1FAAH
SCHEMBL15929176 0.85 PTGS2 (0.45) PTGS2PTGS1FAAHMAPT
SCHEMBL15929051 0.84 PTGS2 (0.55) PTGS2PTGS1FAAHEPHX1MAPT
SCHEMBL15929177 0.83 PTGS2 (0.48) PTGS2PTGS1FAAHTRPV1
SCHEMBL15929084 0.82 PTGS2 (0.42) PTGS2PTGS1KMT2ATRPV1
SCHEMBL15929144 0.81 KMT2A (0.41) PTGS2PTGS1MAPTKMT2A
SCHEMBL21498350 0.79 GAA (0.42) PTGS2MAPTHPGDKMT2A
SCHEMBL21498333 0.78 PTGS2 (0.34) PTGS2PTGS1MAPTKMT2A

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 4 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-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 (3 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 4/4885PTGS1 1/4885FAAH 645/4885
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 PTGS2 9/4885PTGS1 8/4885FAAH 1545/4885
US-10450260-B2 NO- and H2S-releasing compounds NOS2, NOS3, NOS1 PTGS2 9/4885PTGS1 8/4885FAAH 1545/4885

“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.