SCHEMBL5513356

SCHEMBL5513356

O=S(=O)(NC1CCCCC1)c1cc(-c2cc3ccc(Cl)cc3[nH]2)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.60
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 2/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
RIPK1 Q13546 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL5514479 0.92 BRD4 (0.62) BRD4ALDH1A1L3MBTL1TP53PKM
Tert-Butyl Formate SCHEMBL27720214 0.91 BRD4 (0.51) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL2873486 0.88 BRD4 (0.61) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL5513059 0.87 BRD4 (0.55) BRD4ALDH1A1L3MBTL1TP53PI4KB
SCHEMBL5621618 0.85 BRD4 (0.52) BRD4ALDH1A1L3MBTL1TP53PKM
Tert-Butyl Formate SCHEMBL27720082 0.83 BRD4 (0.53) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL2878477 0.81 BRD4 (0.57) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL2876527 0.81 BRD4 (0.60) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL2877793 0.81 BRD4 (0.60) BRD4ALDH1A1L3MBTL1TP53PKM
Tert-Butyl Formate SCHEMBL28778037 0.80 BRD4 (0.52) BRD4ALDH1A1L3MBTL1TP53PKM

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 2086/4885ALDH1A1 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.