SCHEMBL5510039

SCHEMBL5510039

O=C(O)CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.69
KMT2A Q03164 4/20 0.64
MEN1 O00255 2/20 0.64
NPBWR1 P48145 1/20 0.64
MCHR1 Q99705 1/20 0.64
ALDH1A1 P00352 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
TP53 P04637 1/20 0.59
PKM P14618 1/20 0.58
CNR2 P34972 1/20 0.58
APEX1 P27695 1/20 0.58
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL11353367 0.99 TDP1 (0.71) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL11527568 0.84 TDP1 (0.68) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL11351226 0.84 ALDH1A1 (0.69) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL4715327 0.84 TDP1 (0.97) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL4717650 0.84 TDP1 (0.97) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL11532159 0.83 TDP1 (0.70) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL11711932 0.82 TDP1 (1.00) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL2875550 0.79 CA1 (0.50) TDP1KMT2AALDH1A1PKMTSHR
SCHEMBL27720187 0.79 SLC6A4 (0.43) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL5504001 0.78 ALDH1A1 (0.50) TDP1KMT2AMEN1ALDH1A1L3MBTL1

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 TDP1 4321/4885KMT2A 4133/4885MEN1 4654/4885

“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.