SCHEMBL10058565

SCHEMBL10058565

CCCOc1c2c(c(OC(F)F)c3ccccc13)C(=O)N(c1ccc(CC(=O)OCC)c(F)c1)C2O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.42
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
RECQL P46063 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL10058564 0.97 PTGER4 (0.44) PTGER4SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL10058559 0.94 PTGER4 (0.48) PTGER4SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL12011121 0.94 PTGER4 (0.48) PTGER4SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL10058558 0.91 PTGER4 (0.50) PTGER4SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL9947864 0.91 PTGER4 (0.50) PTGER4CYP1A2CYP2D6
SCHEMBL10058570 0.91 PTGER4 (0.42) PTGER4SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL10058571 0.91 PTGER4 (0.42) PTGER4SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL9948203 0.88 PTGER4 (0.52) PTGER4CYP1A2CYP2D6
SCHEMBL12011124 0.88 PTGER4 (0.54) PTGER4SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL12011118 0.87 PTGER4 (0.44) PTGER4SMN1; SMN2KMT2AMEN1HPGD

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 4 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-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
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 106/4885SMN1; SMN2 693/4885KMT2A 2553/4885

“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.