SCHEMBL1462787

SCHEMBL1462787

COc1cc(C)c(-c2ccc3c(c2)cc(OS(=O)(=O)C(F)(F)F)n3S(=O)(=O)C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
DGAT1 O75907 13/20 0.35
ALOX5AP P20292 1/20 0.34
ORAI1 Q96D31 1/20 0.34
ACLY P53396 1/20 0.33
PIK3CA P42336 1/20 0.32

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
SCHEMBL12826290 0.86 ABL1 (0.37) ABL1PTGS1PTGS2DGAT1ALOX5AP
SCHEMBL12825941 0.80 BRPF1 (0.31)
SCHEMBL1460334 0.78 ACLY (0.35) ACLY
SCHEMBL12826642 0.78 ALOX5AP (0.36) ABL1PTGS1PTGS2ALOX5APORAI1
SCHEMBL1463839 0.76 ORAI1 (0.35) ABL1ALOX5APORAI1ACLY
SCHEMBL15959129 0.69 CYP2A6 (0.45) PTGS1PTGS2DGAT1PIK3CA
SCHEMBL1463766 0.69 SCN9A (0.40) PTGS1PTGS2
SCHEMBL1460249 0.66 BRD9 (0.38) ACLY
SCHEMBL12825992 0.66
SCHEMBL16475095 0.63 NNMT (0.47) ABL1ORAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ABL1 2048/4885PTGS1 656/4885PTGS2 876/4885

“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.