SCHEMBL5512043

SCHEMBL5512043

COC(=O)Cc1c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2ccc(OC)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.47
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43
GLA P06280 1/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 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
SCHEMBL5509087 0.93 BRD4 (0.47) BRD4TLR8TLR7MTNR1AMTNR1B
SCHEMBL5514894 0.92 BRD4 (0.48) BRD4TLR8TLR7GLATP53
SCHEMBL2877960 0.90 BRD4 (0.47) BRD4TLR8TLR7GLATP53
SCHEMBL5506512 0.87 BRD4 (0.48) BRD4TLR8TLR7MTNR1AMTNR1B
SCHEMBL5620480 0.86 BRD4 (0.46) BRD4TLR8TLR7GLATP53
SCHEMBL5508160 0.86 BRD4 (0.47) BRD4TLR8TLR7TP53PKM
SCHEMBL2869540 0.85 BRD4 (0.46) BRD4TLR8TLR7GLATP53
SCHEMBL5505156 0.84 BRD4 (0.46) BRD4TLR8TLR7TP53PKM
SCHEMBL2880668 0.84 BRD4 (0.45) BRD4TLR8TLR7GLATP53
SCHEMBL5504979 0.83 BRD4 (0.45) BRD4TLR8TLR7ALDH1A1CYP2C9

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 2086/4885TLR8 714/4885TLR7 317/4885

“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.