SCHEMBL10058561

SCHEMBL10058561

CCCOc1c2c(c(OC(F)F)c3ccccc13)C(=O)N(c1ccc(CC(=O)OCC)cc1Cl)C2O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 12/20 0.41
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LDHA P00338 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL10058560 0.97 PTGER4 (0.43) PTGER4SMN1; SMN2ALDH1A1LDHACYP1A2
SCHEMBL10058557 0.94 PTGER4 (0.46) PTGER4SMN1; SMN2ALDH1A1LDHACYP1A2
SCHEMBL14228079 0.93 PTGER4 (0.47) PTGER4SMN1; SMN2ALDH1A1LDHACYP1A2
SCHEMBL13415504 0.93 PTGER4 (0.47) PTGER4SMN1; SMN2ALDH1A1LDHACYP1A2
SCHEMBL10058563 0.92 PTGER4 (0.41) PTGER4SMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL10058556 0.91 PTGER4 (0.48) PTGER4SMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL9947794 0.91 PTGER4 (0.48) PTGER4CYP1A2CYP2D6
SCHEMBL10058566 0.91 PTGER4 (0.40) PTGER4SMN1; SMN2ALDH1A1LDHA
SCHEMBL10058567 0.91 PTGER4 (0.40) PTGER4SMN1; SMN2ALDH1A1LDHA
SCHEMBL10058562 0.88 PTGER4 (0.43) PTGER4SMN1; SMN2ALDH1A1CYP1A2CYP2D6

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 5 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
WO-2007088189-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2007-08-09 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 106/4885SMN1; SMN2 693/4885ALDH1A1 1159/4885

“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.