SCHEMBL2880668

SCHEMBL2880668

COC(=O)Cc1c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2cccc(Cl)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.45
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
PI4KB Q9UBF8 1/20 0.38
GLA P06280 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.37
TACR1 P25103 1/20 0.37
MCL1 Q07820 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
SCHEMBL2876533 0.93 BRD4 (0.44) BRD4ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL2875819 0.93 BRD4 (0.43) BRD4ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL2875348 0.93 BRD4 (0.43) BRD4ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL2869540 0.91 BRD4 (0.46) BRD4ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL2873432 0.91 BRD4 (0.47) BRD4ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL2877960 0.91 BRD4 (0.47) BRD4ALDH1A1L3MBTL1SMN1; SMN2LMNA
Potassium Ion SCHEMBL2878171 0.89 BRD4 (0.46) BRD4ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL27751371 0.88 BRD4 (0.43) BRD4ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL27772050 0.87 BRD4 (0.44) BRD4ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL5514894 0.85 BRD4 (0.48) BRD4ALDH1A1L3MBTL1SMN1; SMN2LMNA

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
EP-2066628-B1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2010-10-20 EP disclosed
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-09 US disclosed
EP-2066628-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-06-10 EP disclosed
WO-2008014186-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-01-31 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-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, CYSLTR2 BRD4 1328/4885ALDH1A1 1757/4885L3MBTL1 3527/4885

“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.