SCHEMBL1590134

SCHEMBL1590134

CCC(C(=O)O)c1ccc(N2C(=O)c3c(c(OC(F)F)c4ccccc4c3OC(C)C)C2O)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.33
CHRM1 P11229 1/20 0.33
RORC P51449 1/20 0.33
PTGER4 P35408 4/20 0.33
AKR1C3 P42330 6/20 0.32
AKR1C2 P52895 6/20 0.32
HTR1A P08908 1/20 0.31
ADRA1A P35348 1/20 0.31
AKR1C1 Q04828 1/20 0.31
KCNQ2 O43526 1/20 0.30

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
SCHEMBL1590441 1.00 PTGS1 (0.33) PTGS1CHRM1RORCPTGER4AKR1C3
SCHEMBL1590887 0.92 PTGER4 (0.39) PTGS1CHRM1RORCPTGER4AKR1C3
SCHEMBL1591334 0.92 PTGER4 (0.41) PTGS1CHRM1RORCPTGER4AKR1C3
SCHEMBL1590112 0.91 AKR1C3 (0.36) PTGS1PTGER4AKR1C3AKR1C2HTR1A
SCHEMBL1590787 0.91 AKR1C3 (0.36) PTGS1PTGER4AKR1C3AKR1C2HTR1A
SCHEMBL1590901 0.91 PTGER4 (0.35) PTGS1CHRM1RORCPTGER4AKR1C3
SCHEMBL1590906 0.91 PTGER4 (0.33) PTGS1CHRM1RORCPTGER4AKR1C3
SCHEMBL2302719 0.88 AKR1C3 (0.39) PTGS1PTGER4AKR1C3AKR1C2HTR1A
SCHEMBL1590313 0.86 PTGER4 (0.36) PTGS1CHRM1RORCPTGER4AKR1C3
SCHEMBL9947945 0.84 PTGER4 (0.46) RORCPTGER4

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 PTGS1 438/4885CHRM1 66/4885RORC 859/4885

“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.