SCHEMBL10058550

SCHEMBL10058550

CCCOc1c2c(c(OC(F)F)c3ccccc13)C(=O)N(c1ccc(CC(=O)OCC)c(F)c1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 13/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.36
PPARA Q07869 3/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PKM P14618 1/20 0.34
RECQL P46063 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
SCHEMBL10058545 0.94 PTGER4 (0.54) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL9606836 0.94 PTGER4 (0.53) PTGER4CYP1A2CYP2D6SMN1; SMN2PPARA
SCHEMBL10058516 0.94 PTGER4 (0.48) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL1589922 0.90 PTGER4 (0.57) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL10058551 0.90 PTGER4 (0.46) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL10058533 0.90 PTGER4 (0.49) PTGER4CYP1A2CYP2D6SMN1; SMN2PPARA
SCHEMBL12002087 0.89 PTGER4 (0.43) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL14430836 0.88 PTGER4 (0.43) PTGER4CYP1A2CYP2D6SMN1; SMN2PPARA
SCHEMBL10058523 0.88 PTGER4 (0.50) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL9606761 0.87 PTGER4 (0.61) PTGER4CYP1A2CYP2D6SMN1; SMN2PKM

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.