SCHEMBL5513327

SCHEMBL5513327

Cc1ccc(Br)cc1S(=O)(=O)NC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.59
MAPK1 P28482 1/20 0.59
BRD4 O60885 6/20 0.58
BRD2 P25440 2/20 0.58
BRD3 Q15059 2/20 0.58
ALDH1A1 P00352 3/20 0.56
TP53 P04637 2/20 0.56
LMNA P02545 2/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.52

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
SCHEMBL2872994 0.83 HTT (0.56) HTTMAPK1ALDH1A1TP53LMNA
SCHEMBL2875807 0.82 ALDH1A1 (0.61) HTTMAPK1BRD4ALDH1A1TP53
SCHEMBL4657372 0.82 BRD4 (0.58) HTTBRD4BRD2BRD3ALDH1A1
SCHEMBL5622378 0.82 TP53 (0.74) HTTBRD4BRD2BRD3ALDH1A1
SCHEMBL2444259 0.80 CA1 (0.51) HTTMAPK1BRD4BRD2BRD3
SCHEMBL5504038 0.79 ALDH1A1 (0.61) HTTMAPK1ALDH1A1TP53LMNA
SCHEMBL128275 0.78 ALDH1A1 (0.64) HTTBRD4BRD2BRD3ALDH1A1
SCHEMBL18739953 0.78 BRD4 (0.54) HTTBRD4BRD2BRD3ALDH1A1
SCHEMBL23613810 0.77 SMN1; SMN2 (0.69) HTTBRD4BRD2BRD3ALDH1A1
SCHEMBL16225504 0.77 MEN1 (0.68) HTTMAPK1ALDH1A1TP53LMNA

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 4 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 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 HTT 3945/4885MAPK1 3444/4885BRD4 2086/4885

“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.