SCHEMBL1590906

SCHEMBL1590906

CCCOc1c2c(c(OC(F)F)c3ccccc13)C(=O)N(c1ccc(C(CC)C(=O)O)cc1Cl)C2O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.33
ACACB O00763 1/20 0.32
AKR1C3 P42330 3/20 0.31
AKR1C2 P52895 3/20 0.31
RORC P51449 1/20 0.31
CHRM1 P11229 1/20 0.31
PTGS1 P23219 1/20 0.31
HTR1A P08908 1/20 0.30
ADRA1A P35348 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
SCHEMBL1590901 0.97 PTGER4 (0.35) PTGER4ACACBAKR1C3AKR1C2RORC
SCHEMBL1590887 0.94 PTGER4 (0.39) PTGER4AKR1C3AKR1C2RORCCHRM1
SCHEMBL1590441 0.91 PTGS1 (0.33) PTGER4AKR1C3AKR1C2RORCCHRM1
SCHEMBL1590134 0.91 PTGS1 (0.33) PTGER4AKR1C3AKR1C2RORCCHRM1
SCHEMBL1591334 0.91 PTGER4 (0.41) PTGER4AKR1C3AKR1C2RORCCHRM1
SCHEMBL1590759 0.88 AKR1C3 (0.35) PTGER4AKR1C3AKR1C2PTGS1HTR1A
SCHEMBL9947794 0.86 PTGER4 (0.48) PTGER4
SCHEMBL1590275 0.85 PTGER4 (0.38) PTGER4ACACBAKR1C3AKR1C2PTGS1
SCHEMBL2295950 0.85 AKR1C3 (0.38) PTGER4ACACBAKR1C3AKR1C2PTGS1
SCHEMBL1590458 0.85 PTGER4 (0.40) PTGER4AKR1C3AKR1C2PTGS1HTR1A

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 106/4885ACACB 3710/4885AKR1C3 885/4885

“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.