SCHEMBL5510444

SCHEMBL5510444

COc1ccc(-c2cc3ccccc3[nH]2)cc1S(=O)(=O)NC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.63
TP53 P04637 1/20 0.57
CASP1 P29466 1/20 0.57
BRD3 Q15059 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
BRD2 P25440 3/20 0.54
PI4KB Q9UBF8 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
HTT P42858 1/20 0.47
PI4KA P42356 1/20 0.47

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
SCHEMBL5516214 0.86 BRD4 (0.61) BRD4TP53BRD3BRD2HTT
SCHEMBL2872857 0.85 BRD4 (0.47) BRD4BRD3BRD2L3MBTL1ALDH1A1
SCHEMBL2873486 0.84 BRD4 (0.61) BRD4TP53L3MBTL1ALDH1A1MCOLN3
SCHEMBL5513244 0.82 ALDH1A1 (0.53) BRD4L3MBTL1ALDH1A1MCOLN3HTT
SCHEMBL5511227 0.82 BRD4 (0.56) BRD4TP53CASP1BRD3SMN1; SMN2
Tert-Butyl Formate SCHEMBL27699535 0.81 BRD4 (0.52) BRD4TP53BRD3BRD2HTT
SCHEMBL5515047 0.80 CA12 (0.56) BRD4SMN1; SMN2ALDH1A1HTT
Tert-Butyl Formate SCHEMBL28781896 0.80 BRD4 (0.41) BRD4BRD3BRD2HTT
Tert-Butyl Formate SCHEMBL28778037 0.80 BRD4 (0.52) BRD4TP53BRD3SMN1; SMN2BRD2
SCHEMBL5517118 0.78 BRD4 (0.62) BRD4BRD3SMN1; SMN2BRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 EP disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 WO 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-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, CYSLTR2 BRD4 2086/4885TP53 2829/4885CASP1 1443/4885

“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.