SCHEMBL10058567

SCHEMBL10058567

CCOC(=O)Cc1ccc(N2C(=O)c3c(c(OC(C)C)c4ccccc4c3OC(F)F)C2O)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.40
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LDHA P00338 2/20 0.33
LDHB P07195 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MDM2 Q00987 1/20 0.31
HPGD P15428 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
SCHEMBL10058566 1.00 PTGER4 (0.40) PTGER4ALDH1A1SMN1; SMN2LDHALDHB
SCHEMBL13177487 0.96 PTGER4 (0.43) PTGER4ALDH1A1SMN1; SMN2LDHALDHB
SCHEMBL10058557 0.93 PTGER4 (0.46) PTGER4ALDH1A1SMN1; SMN2LDHAHPGD
SCHEMBL10058556 0.93 PTGER4 (0.48) PTGER4ALDH1A1SMN1; SMN2HPGD
SCHEMBL10058569 0.91 PTGER4 (0.41) PTGER4ALDH1A1SMN1; SMN2HPGD
SCHEMBL10058568 0.91 PTGER4 (0.41) PTGER4ALDH1A1SMN1; SMN2HPGD
SCHEMBL10058560 0.91 PTGER4 (0.43) PTGER4ALDH1A1SMN1; SMN2LDHAHPGD
SCHEMBL10058561 0.91 PTGER4 (0.41) PTGER4ALDH1A1SMN1; SMN2LDHA
SCHEMBL9947945 0.90 PTGER4 (0.46) PTGER4ALDH1A1KDM4EMDM2HPGD
SCHEMBL4610415 0.90 PTGER4 (0.46) PTGER4ALDH1A1KDM4EMDM2HPGD

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 106/4885ALDH1A1 1159/4885SMN1; SMN2 693/4885

“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.