SCHEMBL1591334

SCHEMBL1591334

CCOc1c2c(c(OC(F)F)c3ccccc13)C(O)N(c1ccc(C(CC)C(=O)O)cc1Cl)C2=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 12/20 0.41
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
AKR1C3 P42330 4/20 0.32
AKR1C2 P52895 4/20 0.32
CHRM1 P11229 1/20 0.32
PTGS1 P23219 1/20 0.32
RORC P51449 1/20 0.32
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA1A P35348 1/20 0.31
AKR1C1 Q04828 1/20 0.31

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
SCHEMBL1590887 0.97 PTGER4 (0.39) PTGER4CYP1A2CYP2D6AKR1C3AKR1C2
SCHEMBL1590901 0.94 PTGER4 (0.35) PTGER4AKR1C3AKR1C2CHRM1PTGS1
SCHEMBL1590134 0.92 PTGS1 (0.33) PTGER4AKR1C3AKR1C2CHRM1PTGS1
SCHEMBL1590441 0.92 PTGS1 (0.33) PTGER4AKR1C3AKR1C2CHRM1PTGS1
SCHEMBL1591302 0.91 PTGER4 (0.41) PTGER4CYP1A2CYP2D6AKR1C3AKR1C2
SCHEMBL1590906 0.91 PTGER4 (0.33) PTGER4AKR1C3AKR1C2CHRM1PTGS1
SCHEMBL1590458 0.88 PTGER4 (0.40) PTGER4CYP1A2CYP2D6AKR1C3AKR1C2
SCHEMBL9947715 0.85 PTGER4 (0.58) PTGER4CYP1A2CYP2D6
SCHEMBL3230613 0.85 PTGER4 (0.39) PTGER4CYP1A2CYP2D6CHRM1PTGS1
SCHEMBL2298376 0.85 PTGER4 (0.44) PTGER4CYP1A2CYP2D6AKR1C3AKR1C2

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 106/4885CYP1A2 41/4885CYP2D6 52/4885

“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.