SCHEMBL10058554

SCHEMBL10058554

CCOC(=O)Cc1ccc(N2C(=O)c3c(c(OC(F)F)c4ccccc4c3OCC)C2O)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.49
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 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
SCHEMBL10058555 0.97 PTGER4 (0.47) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL10058562 0.94 PTGER4 (0.43) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL10305428 0.93 PTGER4 (0.53) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL10058568 0.93 PTGER4 (0.41) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL10058569 0.93 PTGER4 (0.41) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL4611275 0.92 PTGER4 (0.59) PTGER4CYP1A2CYP2D6
SCHEMBL10058563 0.91 PTGER4 (0.41) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL13431525 0.91 PTGER4 (0.48) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL13431523 0.91 PTGER4 (0.48) PTGER4CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL10058556 0.91 PTGER4 (0.48) PTGER4CYP1A2CYP2D6ALDH1A1HPGD

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 106/4885CYP1A2 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.