SCHEMBL2875807

SCHEMBL2875807

O=S(=O)(NC1CCCCC1)c1cc(Br)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MAPK1 P28482 2/20 0.59
HTT P42858 2/20 0.59
MAPT P10636 2/20 0.54
BRD4 O60885 1/20 0.53
TP53 P04637 3/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.48
HPGD P15428 2/20 0.48
HSP90AA1 P07900 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL5504038 0.88 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPK1HTTMAPT
SCHEMBL3410369 0.86 L3MBTL1 (0.48) ALDH1A1L3MBTL1MAPK1HTTMAPT
SCHEMBL4618795 0.86 GSTO1 (0.52) ALDH1A1L3MBTL1MAPK1HTTMAPT
SCHEMBL21760947 0.86 L3MBTL1 (0.48) ALDH1A1L3MBTL1MAPK1HTTMAPT
SCHEMBL5513327 0.82 HTT (0.59) ALDH1A1MAPK1HTTMAPTBRD4
SCHEMBL3637450 0.81 L3MBTL1 (0.44) ALDH1A1L3MBTL1MAPK1HTTMAPT
SCHEMBL2872994 0.80 HTT (0.56) ALDH1A1MAPK1HTTMAPTTP53
SCHEMBL11596464 0.79 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPK1MAPTBRD4
SCHEMBL11595226 0.79 L3MBTL1 (0.57) ALDH1A1L3MBTL1HTTMAPTBRD4
SCHEMBL5622378 0.79 TP53 (0.74) ALDH1A1L3MBTL1HTTMAPTBRD4

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
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
CN-101146770-A 2-phenyl indoles as prostaglandin D2 receptor antagonists AVENTIS PHARMA INC (US) 2008-03-19 CN disclosed
WO-2008014186-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-01-31 WO 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 (2 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 ALDH1A1 1779/4885L3MBTL1 3567/4885MAPK1 3444/4885
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, CYSLTR2 ALDH1A1 1757/4885L3MBTL1 3527/4885MAPK1 3086/4885

“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.