SCHEMBL4960087

SCHEMBL4960087

CC(=O)Oc1ccccc1C(=O)Oc1cccc(O[N+](=O)[O-])c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
HSD17B10 Q99714 4/20 0.57
LMNA P02545 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
PTGS2 P35354 4/20 0.54
MAPT P10636 2/20 0.48
ALDH1A1 P00352 4/20 0.48
ESR1 P03372 3/20 0.48
TSHR P16473 2/20 0.48
PTGS1 P23219 2/20 0.48
HPGD P15428 2/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
HMGB1 P09429 1/20 0.48
GGT1 P19440 1/20 0.48
BLM P54132 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSP90AA1 P07900 1/20 0.45

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 0.82 PTGS2 (0.58) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL16010711 0.81 PTGS2 (0.53) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL19750 0.79 PTGS2 (0.63) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL678302 0.75 PTGS2 (0.62) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL4337330 0.75 HSD17B10 (0.58) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL544041 0.74 ACHE (0.69) KDM4EHSD17B10LMNACYP1A2CYP2C9
Diplosalsalate SCHEMBL30590970 0.74 KDM4E (1.00) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL2473332 0.74 KDM4E (1.00) KDM4EHSD17B10LMNACYP1A2CYP2C9
Diplosalsalate SCHEMBL25398 0.74 KDM4E (1.00) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL29454034 0.73 PTGS2 (0.64) KDM4EHSD17B10LMNACYP1A2CYP2C9

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 8 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-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
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 (1 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 KDM4E 3253/4885HSD17B10 647/4885LMNA 3188/4885

“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.