SCHEMBL10058504

SCHEMBL10058504

CCOC(=O)Cc1ccc(N2C(=O)c3c(c(OC(F)F)c4ccccc4c3OC(F)F)C2=O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 12/20 0.47
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
RECQL P46063 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL10058546 0.96 PTGER4 (0.45) PTGER4CYP1A2CYP2D6SMN1; SMN2RECQL
SCHEMBL10058548 0.96 PTGER4 (0.53) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL10058549 0.94 PTGER4 (0.47) PTGER4CYP1A2CYP2D6SMN1; SMN2RECQL
SCHEMBL14430835 0.92 PTGER4 (0.42) PTGER4CYP1A2CYP2D6SMN1; SMN2RECQL
SCHEMBL14430834 0.92 PTGER4 (0.42) PTGER4CYP1A2CYP2D6SMN1; SMN2RECQL
SCHEMBL12011116 0.92 PTGER4 (0.47) PTGER4CYP1A2CYP2D6SMN1; SMN2RECQL
SCHEMBL10058501 0.89 PTGER4 (0.47) PTGER4CYP1A2CYP2D6SMN1; SMN2RECQL
SCHEMBL9606636 0.89 PTGER4 (0.59) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL10058536 0.88 PTGER4 (0.44) PTGER4CYP1A2CYP2D6SMN1; SMN2RECQL
SCHEMBL13431516 0.87 PTGER4 (0.53) PTGER4CYP1A2CYP2D6ALDH1A1HPGD

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 3 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
WO-2007088189-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2007-08-09 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-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.