SCHEMBL1590785

SCHEMBL1590785

CCC(C(=O)O)c1ccc(N2C(=O)c3c(c(OC(F)F)c4ccccc4c3OC(F)F)C2=O)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.37
AKR1C2 P52895 11/20 0.37
PTGER4 P35408 4/20 0.37
PTGS1 P23219 2/20 0.36
AKR1C1 Q04828 2/20 0.36
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PPARA Q07869 1/20 0.35
CHRM1 P11229 1/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1C4 P17516 1/20 0.35
KCNQ2 O43526 1/20 0.35
RORC P51449 1/20 0.34

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
SCHEMBL1590313 0.96 PTGER4 (0.36) AKR1C3AKR1C2PTGER4PTGS1AKR1C1
SCHEMBL1591410 0.95 PTGER4 (0.44) AKR1C3AKR1C2PTGER4PTGS1AKR1C1
SCHEMBL1590275 0.94 PTGER4 (0.38) AKR1C3AKR1C2PTGER4PTGS1AKR1C1
SCHEMBL1590574 0.89 AKR1C3 (0.43) AKR1C3AKR1C2PTGER4PTGS1AKR1C1
SCHEMBL1590405 0.87 PTGER4 (0.36) AKR1C3AKR1C2PTGER4PTGS1AKR1C1
SCHEMBL2428776 0.86 AKR1C3 (0.42) AKR1C3AKR1C2PTGER4AKR1C1HTR1A
SCHEMBL1590400 0.86 AKR1C3 (0.41) AKR1C3AKR1C2PTGER4PTGS1AKR1C1
SCHEMBL1590264 0.85 PTGER4 (0.42) AKR1C3AKR1C2PTGER4PTGS1AKR1C1
SCHEMBL1589945 0.85 PTGER4 (0.45) AKR1C3AKR1C2PTGER4PTGS1CYP1A2
SCHEMBL1591163 0.85 PTGER4 (0.39) AKR1C3AKR1C2PTGER4PTGS1AKR1C1

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 AKR1C3 885/4885AKR1C2 1676/4885PTGER4 106/4885

“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.