SCHEMBL4959789

SCHEMBL4959789

CC(=O)Oc1cc(CO[N+](=O)[O-])ccc1C(=O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.49
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPT P10636 4/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CFD P00746 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38

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
SCHEMBL16599198 0.89 KMT2A (0.44) PTGS2HSD17B10LMNAMAPTALDH1A1
Benzene SCHEMBL16599421 0.87 KDM4E (0.51) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL29454034 0.86 PTGS2 (0.64) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL4138781 0.86 PTGS2 (0.64) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL6400514 0.85 KDM4E (0.52) PTGS2HSD17B10KDM4ELMNACYP1A2
Ncx-4016 SCHEMBL29813476 0.85 PTGS2 (0.57) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL17986190 0.85 PTGS2 (0.46) PTGS2HSD17B10KDM4ELMNACYP1A2
Ncx-4016 SCHEMBL29546681 0.85 PTGS2 (0.57) PTGS2HSD17B10KDM4ELMNACYP1A2
Ncx-4016 SCHEMBL19524 0.85 PTGS2 (0.57) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL16599365 0.83 PTGS2 (0.48) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378437-B2 Use for the diabetes treatment of compounds or salts thereof, having the following general formula (I): A-(B)b0-(C)c0-NO2 wherein A contains the radical of a drug having an antiiflammatory or analgesic activity, B is a bivalen: linking NICOX S.A. (FR) 2008-05-27 US claimed
US-20040023890-A1 Drugs for diabetes NICOX S.A. (FR) 2004-02-05 US claimed
EP-1324974-A2 DRUGS FOR DIABETES Nicox S.A. (FR) 2003-07-09 EP claimed
WO-2002030867-A2 DRUGS FOR DIABETES NICOX S.A. (FR) 2002-04-18 WO claimed
US-7465803-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2008-12-16 US disclosed
US-7378437-B2 Use for the diabetes treatment of compounds or salts thereof, having the following general formula (I): A-(B)b0-(C)c0-NO2 wherein A contains the radical of a drug having an antiiflammatory or analgesic activity, B is a bivalen: linking NICOX S.A. (FR) 2008-05-27 US disclosed
EP-1339665-B1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX SA (FR) 2007-12-19 EP disclosed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 US disclosed
US-20040023890-A1 Drugs for diabetes NICOX S.A. (FR) 2004-02-05 US disclosed
EP-1324974-A2 DRUGS FOR DIABETES Nicox S.A. (FR) 2003-07-09 EP disclosed
WO-2002030867-A2 DRUGS FOR DIABETES NICOX S.A. (FR) 2002-04-18 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 (2 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-20040023890-A1 Drugs for diabetes SLC5A2, ADORA2B, UGT2B7 PTGS2 91/4885HSD17B10 647/4885KDM4E 3253/4885
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.