SCHEMBL678302

SCHEMBL678302

CC(=O)Oc1ccccc1C(=O)Oc1ccccc1CO[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.62
HSD17B10 Q99714 5/20 0.56
KDM4E B2RXH2 4/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
MAPT P10636 2/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 2/20 0.47
PTGS1 P23219 2/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
GGT1 P19440 1/20 0.47
BLM P54132 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL5605677 0.90 PTGS2 (0.58) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL3000316 0.85 HPGD (0.54) PTGS2HSD17B10KDM4ELMNAMAPT
SCHEMBL4138781 0.85 PTGS2 (0.64) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL29454034 0.85 PTGS2 (0.64) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL4337330 0.84 HSD17B10 (0.58) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL4128980 0.81 PTGS2 (0.56) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL13588988 0.81 PTGS2 (0.58) PTGS2HSD17B10KDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL4120907 0.80 PTGS2 (0.55) PTGS2HSD17B10KDM4ELMNACYP1A2
Ncx-4016 SCHEMBL29813476 0.80 PTGS2 (0.57) PTGS2HSD17B10KDM4ELMNACYP1A2
Ncx-4016 SCHEMBL29546681 0.80 PTGS2 (0.57) PTGS2HSD17B10KDM4ELMNACYP1A2

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2009-03-19 US claimed
EP-1339665-B1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX SA (FR) 2007-12-19 EP claimed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 US claimed
EP-1339665-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS Nicox S.A. (FR) 2003-09-03 EP claimed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 WO claimed
US-10450260-B2 NO- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2019-10-22 US disclosed
EP-1933881-B1 SOLID POLYMER DELIVERY COMPOSITIONS AND METHODS FOR USE THEREOF MEDIVAS LLC (US) 2019-03-13 EP 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
EP-2744487-B1 NO- AND H2S- RELEASING COMPOUNDS UNIV CITY NEW YORK RES FOUND (US) 2016-10-05 EP disclosed
US-20160206570-A1 CARDIOPROTECTANT TO REDUCE DAMAGE FROM HEART ATTACK ARIZIBA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY IF ARIZONA (US) 2016-07-21 US disclosed
WO-2015034940-A1 CARDIOPROTECTANT TO REDUCE DAMAGE FROM HEART ATTACK ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2015-03-12 WO disclosed
EP-1313794-A2 ELASTOMERIC FUNCTIONAL BIODEGRADABLE COPOLYESTER AMIDES AND COPOLYESTER URETHANES CORNELL RESEARCH FOUNDATION, INC. (US) 2003-05-28 EP disclosed
US-6512137-B1 Esterification, reduction, halogenation, nitration NICOX S.A. (FR) 2003-01-28 US disclosed
WO-2003000642-A2 DRUGS FOR CHRONIC PAINS NICOX S.A. (FR) 2003-01-03 WO disclosed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 WO disclosed
WO-2002018477-A2 ELASTOMERIC FUNCTIONAL BIODEGRADABLE COPOLYESTER AMIDES AND COPOLYESTER URETHANES CORNELL RESEARCH FOUNDATION, INC. (US) 2002-03-07 WO disclosed
EP-1147074-A1 SYNTHESIS METHOD OF NITROXYMETHYLPHENYL ESTERS OF ASPIRIN DERIVATIVES NICOX S.A. (FR) 2001-10-24 EP disclosed
WO-2000044705-A1 SYNTHESIS METHOD OF NITROXYMETHYLPHENYL ESTERS OF ASPIRIN DERIVATIVES NICOX S.A. (FR) 2000-08-03 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 (5 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-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 PTGS2 9/4885HSD17B10 1833/4885KDM4E 2251/4885
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR0B1, NOX1 PTGS2 110/4885HSD17B10 550/4885KDM4E 3984/4885
US-10450260-B2 NO- and H2S-releasing compounds NOS2, NOS3, NOS1 PTGS2 9/4885HSD17B10 1833/4885KDM4E 2251/4885
US-20160206570-A1 CARDIOPROTECTANT TO REDUCE DAMAGE FROM HEART ATTACK FABP3, TNNI3, TNNT2 PTGS2 621/4885HSD17B10 266/4885KDM4E 4736/4885
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 PTGS2 64/4885HSD17B10 606/4885KDM4E 4320/4885

“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.