SCHEMBL5506423

SCHEMBL5506423

O=C(O)Cc1c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.48
PTGDR2 Q9Y5Y4 3/20 0.47
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 2/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MDM2 Q00987 1/20 0.38
PTGDR Q13258 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PI4KB Q9UBF8 1/20 0.37

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
SCHEMBL5511392 0.93 BRD4 (0.50) BRD4PTGDR2ALDH1A1L3MBTL1PTGS2
SCHEMBL2874923 0.91 BRD4 (0.49) BRD4PTGDR2ALDH1A1L3MBTL1LMNA
SCHEMBL5514824 0.91 BRD4 (0.49) BRD4PTGDR2ALDH1A1L3MBTL1LMNA
SCHEMBL5620480 0.90 BRD4 (0.46) BRD4PTGDR2ALDH1A1L3MBTL1LMNA
SCHEMBL5512629 0.90 BRD4 (0.50) BRD4PTGDR2ALDH1A1L3MBTL1MAPT
SCHEMBL27720126 0.87 BRD4 (0.44) BRD4PTGDR2ALDH1A1L3MBTL1LMNA
SCHEMBL5506404 0.86 BRD4 (0.49) BRD4PTGDR2ALDH1A1L3MBTL1LMNA
SCHEMBL5508339 0.86 BRD4 (0.48) BRD4PTGDR2ALDH1A1LMNAMEN1
SCHEMBL2874410 0.85 BRD4 (0.48) BRD4PTGDR2ALDH1A1L3MBTL1LMNA
SCHEMBL2873432 0.85 BRD4 (0.47) BRD4PTGDR2ALDH1A1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101146770-A 2-phenyl indoles as prostaglandin D2 receptor antagonists AVENTIS PHARMA INC (US) 2008-03-19 CN claimed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US claimed
CN-101146770-A 2-phenyl indoles as prostaglandin D2 receptor antagonists AVENTIS PHARMA INC (US) 2008-03-19 CN 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
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 2086/4885PTGDR2 1/4885ALDH1A1 1779/4885

“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.