SCHEMBL2763284

SCHEMBL2763284

O=Cc1ccccc1OC(=O)CCCO[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.42
ESR2 Q92731 2/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
SRC P12931 1/20 0.38
RAD52 P43351 1/20 0.38
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
S1PR4 O95977 1/20 0.36

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
SCHEMBL2762555 0.96 PTGS2 (0.48) PTGS2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL2763243 0.95 PTGS2 (0.47) PTGS2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL2762935 0.92 ALDH1A1 (0.47) PTGS2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL15929208 0.90 PTGS2 (0.51) PTGS2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL15929276 0.84 CA12 (0.39) PTGS2ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL554351 0.83 PTGDR2 (0.50) PTGS2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL9247222 0.83 ALDH1A1 (0.62) PTGS2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL15941304 0.83 ALDH1A1 (0.62) PTGS2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL2763502 0.82 PTGS2 (0.43) PTGS2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL7358847 0.81 ALDH1A1 (0.61) PTGS2ALDH1A1HPGDSMN1; SMN2HTT

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 15 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-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-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-9688607-B2 No- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-06-27 US disclosed
EP-2744487-B1 NO- AND H2S- RELEASING COMPOUNDS UNIV CITY NEW YORK RES FOUND (US) 2016-10-05 EP disclosed
US-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 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
EP-2744487-A2 NO- AND H2S- RELEASING COMPOUNDS Research Foundation Of The City University Of New York (US) 2014-06-25 EP disclosed
WO-2013025790-A2 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2013-02-21 WO disclosed
EP-1951653-B1 SALICYLIC ACID DERIVATIVES NICOX SA (FR) 2010-10-20 EP disclosed
US-20080293781-A1 Salicylic Acid Derivatives NICOX S.A. (FR) 2008-11-27 US disclosed
EP-1951653-A1 SALICYLIC ACID DERIVATIVES NicOx S.A. (FR) 2008-08-06 EP disclosed
WO-2007060112-A1 SALICYLIC ACID DERIVATIVES NICOX S.A. (FR) 2007-05-31 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 (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 4/4885ALDH1A1 363/4885HPGD 18/4885
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 PTGS2 9/4885ALDH1A1 961/4885HPGD 115/4885
US-10450260-B2 NO- and H2S-releasing compounds NOS2, NOS3, NOS1 PTGS2 9/4885ALDH1A1 961/4885HPGD 115/4885
US-20080293781-A1 Salicylic Acid Derivatives PTGS2, PTGS1, PTGES2 PTGS2 1/4885ALDH1A1 51/4885HPGD 27/4885

“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.