SCHEMBL1459928

SCHEMBL1459928

O=C(O)c1ccc2c(c1)cc(-c1c(F)cccc1F)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACLY P53396 13/20 0.65
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
PPARD Q03181 2/20 0.41
TTR P02766 1/20 0.40
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL1461136 0.88 ACLY (0.51) ACLYCA12CA2CA9PPARG
SCHEMBL1459858 0.88 ACLY (0.53) ACLYPPARGPPARAPTGDRPTGDR2
SCHEMBL1463735 0.87 ACLY (0.53) ACLYCA12CA2CA9PPARG
SCHEMBL1460036 0.86 ACLY (0.49) ACLYCA12CA2CA9PPARG
SCHEMBL1459887 0.84 ACLY (0.48) ACLYCA12CA2CA9PPARG
SCHEMBL1457773 0.83 ACLY (0.45) ACLYCA12CA2CA9PPARG
SCHEMBL1459880 0.83 ACLY (0.46) ACLYPPARGPPARAPPARDPTGDR
SCHEMBL1459155 0.79 ACLY (0.45) ACLYCA12CA2CA9PPARG
SCHEMBL22004426 0.79 ACLY (1.00) ACLY
SCHEMBL1460025 0.78 ACLY (0.46) ACLYCA12CA2CA9PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E ACLY 3448/4885CA12 3008/4885CA2 100/4885

“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.