SCHEMBL10058499

SCHEMBL10058499

CCOC(=O)Cc1ccc(N2C(=O)c3c(c(O)c4ccccc4c3O)C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
CYP4Z1 Q86W10 1/20 0.42
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14430688 0.95 PTGER4 (0.53) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL14431121 0.93 PTGER4 (0.51) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL10058530 0.92 PTGER4 (0.67) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL10058531 0.92 PTGER4 (0.71) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL14431119 0.91 PTGER4 (0.49) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL10058522 0.89 PTGER4 (0.55) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL12002092 0.89 PTGER4 (0.47) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL27740580 0.89 PTGER4 (0.61) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL13942014 0.84 PTGER4 (0.54) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL12289129 0.83 PTGER4 (0.55) PTGER4CYP1A2CYP2D6SMN1; SMN2MAPT

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 7 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
CN-101415680-B Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LTD 2011-10-12 CN 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
CN-101415680-A Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LTD (GB) 2009-04-22 CN disclosed
WO-2009019281-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2009-02-12 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.