SCHEMBL1591540

SCHEMBL1591540

CCC(C(=O)O)c1ccc(N2C(=O)c3c(c(OC(C)C)c4ccccc4c3OCc3ccccc3)C2=O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.39
AKR1C3 P42330 7/20 0.38
AKR1C2 P52895 7/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
EDNRA P25101 1/20 0.36
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLRA1 P23415 1/20 0.33

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
SCHEMBL1591360 0.95 PTGER4 (0.42) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL2299894 0.93 AKR1C3 (0.43) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL1591298 0.92 PTGER4 (0.47) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL1590570 0.90 PTGER4 (0.40) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL1591163 0.90 PTGER4 (0.39) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL1590400 0.89 AKR1C3 (0.41) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL1590116 0.89 AKR1C3 (0.40) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL2299558 0.86 PTGER4 (0.48) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6
SCHEMBL1590411 0.86 PTGER4 (0.51) PTGER4CYP1A2CYP2D6EDNRAUSP2
SCHEMBL1590574 0.85 AKR1C3 (0.43) PTGER4AKR1C3AKR1C2CYP1A2CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 106/4885AKR1C3 885/4885AKR1C2 1676/4885

“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.