SCHEMBL10079535

SCHEMBL10079535

O=CCc1ccc(N2C(=O)c3c(c(OC(F)F)c4ccccc4c3OC(F)F)C2=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TLR9 Q9NR96 1/20 0.31

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
SCHEMBL10078420 0.95 PTGER4 (0.39) PTGER4CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL10079268 0.93 PTGER4 (0.48) PTGER4CYP1A2CYP2D6
SCHEMBL10079527 0.91 PTGER4 (0.41) PTGER4CYP1A2CYP2D6
SCHEMBL12002198 0.89 PTGER4 (0.35) PTGER4CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL10078909 0.83 PTGER4 (0.48) PTGER4CYP1A2CYP2D6ALDH1A1HSP90AA1
SCHEMBL1590562 0.83 PTGER4 (0.55) PTGER4CYP1A2CYP2D6
SCHEMBL10079270 0.83 PTGER4 (0.43) PTGER4CYP1A2CYP2D6ALDH1A1
SCHEMBL10078416 0.82 PTGER4 (0.40) PTGER4CYP1A2CYP2D6
SCHEMBL10078945 0.80 PTGER4 (0.55) PTGER4
SCHEMBL10079538 0.80 PTGER4 (0.55) PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 US 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-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN OPRK1, OPRD1, OPRL1 PTGER4 106/4885CYP1A2 41/4885CYP2D6 52/4885

“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.