SCHEMBL4410567

SCHEMBL4410567

CC(C)Oc1c2c(c(OCc3ccccc3)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 15/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EDNRA P25101 1/20 0.39
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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 0.92 PTGER4 (0.76) PTGER4CYP1A2CYP2D6KMT2APOLB
SCHEMBL4610617 0.91 PTGER4 (0.78) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL3561110 0.91 PTGER4 (0.85) PTGER4CYP1A2CYP2D6
SCHEMBL3963580 0.90 PTGER4 (0.69) PTGER4CYP1A2CYP2D6KMT2A
SCHEMBL10058514 0.89 PTGER4 (0.60) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL3568198 0.89 PTGER4 (0.71) PTGER4CYP1A2CYP2D6
SCHEMBL3562781 0.88 PTGER4 (0.84) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL3963667 0.88 PTGER4 (0.89) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL4408305 0.88 PTGER4 (0.84) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL3572228 0.88 PTGER4 (0.70) 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
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

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.