SCHEMBL3967404

SCHEMBL3967404

CC(C)Oc1c2c(c(O)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.68
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
KMT2A Q03164 1/20 0.39
DUSP3 P51452 1/20 0.38
DUSP22 Q9NRW4 1/20 0.38
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
NSD2 O96028 1/20 0.36
POLB P06746 1/20 0.36
GRK2 P25098 1/20 0.36
CASP6 P55212 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL3564798 0.94 PTGER4 (0.76) PTGER4CYP1A2CYP2D6KMT2ADUSP3
SCHEMBL3562781 0.90 PTGER4 (0.84) PTGER4CYP1A2CYP2D6KMT2ADUSP3
SCHEMBL1589859 0.89 PTGER4 (0.68) PTGER4CYP1A2CYP2D6KMT2ADUSP3
SCHEMBL3561110 0.88 PTGER4 (0.85) PTGER4CYP1A2CYP2D6
SCHEMBL3968229 0.88 PTGER4 (0.67) PTGER4CYP1A2CYP2D6KMT2ADUSP3
SCHEMBL4409667 0.88 PTGER4 (0.88) PTGER4CYP1A2CYP2D6KMT2ADUSP3
SCHEMBL10058522 0.88 PTGER4 (0.55) PTGER4CYP1A2CYP2D6KMT2APOLB
SCHEMBL4410567 0.87 PTGER4 (0.69) PTGER4CYP1A2CYP2D6KMT2APOLB
SCHEMBL3963580 0.87 PTGER4 (0.69) PTGER4CYP1A2CYP2D6KMT2A
SCHEMBL3568198 0.86 PTGER4 (0.71) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979317-B1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 US disclosed
EP-2081896-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-07-29 EP disclosed
EP-1979317-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
WO-2008061955-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-05-29 WO 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-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS PTGER4, PTGER3, HTR4 PTGER4 1/4885CYP1A2 328/4885CYP2D6 445/4885

“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.