SCHEMBL5508282

SCHEMBL5508282

O=C(O)CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 3/20 0.48
MAPT P10636 3/20 0.48
BRD4 O60885 1/20 0.48
LMNA P02545 2/20 0.47
CNR2 P34972 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL11349061 0.99 ALDH1A1 (0.50) ALDH1A1L3MBTL1TP53MAPTBRD4
SCHEMBL11346990 0.99 ALDH1A1 (0.50) ALDH1A1L3MBTL1TP53MAPTBRD4
SCHEMBL5504001 0.99 ALDH1A1 (0.50) ALDH1A1L3MBTL1TP53MAPTBRD4
SCHEMBL5508077 0.99 ALDH1A1 (0.50) ALDH1A1L3MBTL1TP53MAPTBRD4
SCHEMBL11346245 0.95 CA1 (0.45) ALDH1A1L3MBTL1TP53MAPTBRD4
SCHEMBL5508767 0.90 GSTO1 (0.52) ALDH1A1L3MBTL1TP53MAPTBRD4
SCHEMBL11344914 0.87 ALDH1A1 (0.48) ALDH1A1L3MBTL1TP53MAPTBRD4
SCHEMBL11568661 0.87 ALDH1A1 (0.50) ALDH1A1L3MBTL1TP53MAPTBRD4
SCHEMBL5509588 0.86 TP53 (0.48) ALDH1A1L3MBTL1TP53MAPTBRD4
SCHEMBL11422126 0.86 ALDH1A1 (0.48) ALDH1A1L3MBTL1TP53MAPTBRD4

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 7 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
EP-0001051-B1 DERIVATIVES OF BENZENESULFONAMIDE, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-11 EP disclosed
US-4235918-A SALIDIURETICS, TREATMENT OF HYPERTONIC CONDITIONS HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-25 US disclosed
EP-0001051-A2 Derivatives of benzenesulfonamide, method for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-03-21 EP 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 ALDH1A1 1779/4885L3MBTL1 3567/4885TP53 2829/4885

“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.