SCHEMBL5514824

SCHEMBL5514824

O=C(O)Cc1c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCCCC3)c2)[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.42
CCR8 P51685 1/20 0.42
GAA P10253 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2874923 1.00 BRD4 (0.49) BRD4ALDH1A1L3MBTL1PTGDR2CCR8
SCHEMBL5512629 0.99 BRD4 (0.50) BRD4ALDH1A1L3MBTL1PTGDR2CCR8
SCHEMBL5514881 0.93 ALDH1A1 (0.46) BRD4ALDH1A1L3MBTL1PTGDR2CCR8
SCHEMBL28772256 0.92 BRD4 (0.43) BRD4ALDH1A1L3MBTL1PTGDR2CCR8
SCHEMBL5507850 0.92 GSTO1 (0.45) BRD4ALDH1A1L3MBTL1GAAKDM4E
SCHEMBL13774339 0.92 BRD4 (0.48) BRD4ALDH1A1L3MBTL1PTGDR2CCR8
SCHEMBL5511290 0.92 BRD4 (0.48) BRD4ALDH1A1L3MBTL1CCR8GAA
SCHEMBL5506423 0.91 BRD4 (0.48) BRD4ALDH1A1L3MBTL1PTGDR2GAA
SCHEMBL5511392 0.91 BRD4 (0.50) BRD4ALDH1A1L3MBTL1PTGDR2KDM4E
SCHEMBL5506404 0.90 BRD4 (0.49) BRD4ALDH1A1L3MBTL1PTGDR2CCR8

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 6 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 claimed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
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 2086/4885ALDH1A1 1779/4885L3MBTL1 3567/4885

“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.