SCHEMBL10058546

SCHEMBL10058546

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.45
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL12011116 0.96 PTGER4 (0.47) PTGER4CYP1A2CYP2D6SMN1; SMN2L3MBTL1
SCHEMBL10058504 0.96 PTGER4 (0.47) PTGER4CYP1A2CYP2D6SMN1; SMN2L3MBTL1
SCHEMBL10058548 0.93 PTGER4 (0.53) PTGER4CYP1A2CYP2D6ALDH1A1
SCHEMBL10058536 0.92 PTGER4 (0.44) PTGER4CYP1A2CYP2D6SMN1; SMN2L3MBTL1
SCHEMBL14430835 0.91 PTGER4 (0.42) PTGER4CYP1A2CYP2D6SMN1; SMN2L3MBTL1
SCHEMBL10058549 0.90 PTGER4 (0.47) PTGER4CYP1A2CYP2D6SMN1; SMN2RECQL
SCHEMBL10058547 0.90 PTGER4 (0.44) PTGER4CYP1A2CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL10058519 0.90 PTGER4 (0.48) PTGER4CYP1A2CYP2D6L3MBTL1ALDH1A1
SCHEMBL9606712 0.90 PTGER4 (0.42) PTGER4CYP1A2CYP2D6SMN1; SMN2L3MBTL1
SCHEMBL14430834 0.89 PTGER4 (0.42) PTGER4CYP1A2CYP2D6SMN1; SMN2L3MBTL1

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.