SCHEMBL1591043

SCHEMBL1591043

CCOc1c2c(c(OCc3ccccc3)c3ccccc13)C(=O)N(c1ccc(C(CC)C(=O)O)cc1Cl)C2=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 1/20 0.40
GLRA1 P23415 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1590264 0.97 PTGER4 (0.42) PTGER4CYP1A2CYP2D6KDM4EGLRA1
SCHEMBL1591089 0.93 PTGER4 (0.40) PTGER4CYP1A2CYP2D6KDM4EGLRA1
SCHEMBL1591163 0.92 PTGER4 (0.39) PTGER4CYP1A2CYP2D6KDM4EGLRA1
SCHEMBL1590718 0.90 PTGER4 (0.45) PTGER4CYP1A2CYP2D6
SCHEMBL1591298 0.89 PTGER4 (0.47) PTGER4CYP1A2CYP2D6
SCHEMBL1591410 0.88 PTGER4 (0.44) PTGER4CYP1A2CYP2D6
SCHEMBL2432467 0.88 PTGER4 (0.43) PTGER4CYP1A2CYP2D6
SCHEMBL1591360 0.86 PTGER4 (0.42) PTGER4CYP1A2CYP2D6USP2ALDH1A1
SCHEMBL1590387 0.85 PTGER4 (0.62) PTGER4CYP1A2CYP2D6USP2ALDH1A1
SCHEMBL2428776 0.84 AKR1C3 (0.42) PTGER4CYP1A2CYP2D6

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.