SCHEMBL4328024

SCHEMBL4328024

CC(=O)Oc1ccccc1C(=O)Oc1cccc(C[N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.54
HSD17B10 Q99714 4/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
LMNA P02545 1/20 0.50
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
KMT2A Q03164 2/20 0.45
HSP90AA1 P07900 1/20 0.45
CCR6 P51684 1/20 0.45
ALOX5 P09917 1/20 0.45
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL4322731 0.88 PTGS2 (0.67) PTGS2HSD17B10KDM4ECYP1A2CYP2C9
Ncx-4016 SCHEMBL19524 0.87 PTGS2 (0.57) PTGS2HSD17B10KDM4ECYP1A2CYP2C9
Ncx-4016 SCHEMBL29813476 0.87 PTGS2 (0.57) PTGS2HSD17B10KDM4ECYP1A2CYP2C9
Ncx-4016 SCHEMBL29546681 0.87 PTGS2 (0.57) PTGS2HSD17B10KDM4ECYP1A2CYP2C9
SCHEMBL12268174 0.86 PTGS2 (0.60) PTGS2HSD17B10KDM4ECYP1A2CYP2C9
SCHEMBL5605673 0.85 PTGS2 (0.60) PTGS2HSD17B10KDM4ECYP1A2CYP2C9
SCHEMBL2547980 0.85 PTGS2 (0.62) PTGS2HSD17B10KDM4ECYP1A2CYP2C9
SCHEMBL4325931 0.84 PTGS2 (0.57) PTGS2HSD17B10KDM4ECYP1A2CYP2C9
SCHEMBL4335260 0.84 PTGS2 (0.57) PTGS2HSD17B10KDM4ECYP1A2CYP2C9
SCHEMBL16010711 0.82 PTGS2 (0.53) PTGS2HSD17B10KDM4ECYP1A2CYP2C9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709155-B1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTPR LTD (KY) 2013-10-02 EP disclosed
US-7585997-B2 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTERPRISES LIMITED (KY) 2009-09-08 US disclosed
EP-1709155-A4 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF KASHFI KHOSROW (US) 2007-10-31 EP disclosed
EP-1709155-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF Kashfi, Khosrow (US) 2006-10-11 EP disclosed
US-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CONVERSANT INTELLECTUAL PROPERTY MANAGEMENT INC. (CA) 2005-08-18 US disclosed
WO-2005065361-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF KASHFI KHOSROW (US) 2005-07-21 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-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof PYGL, TP53, MKI67 PTGS2 689/4885HSD17B10 1234/4885KDM4E 4082/4885

“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.