SCHEMBL5508767

SCHEMBL5508767

O=C(O)CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.52
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 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
SCHEMBL11346245 0.92 CA1 (0.45) GSTO1ALDH1A1LMNACA1CA2
SCHEMBL5508282 0.90 ALDH1A1 (0.51) ALDH1A1LMNATSHRCA1CA2
SCHEMBL5508077 0.89 ALDH1A1 (0.50) ALDH1A1LMNATSHRCA1CA2
SCHEMBL11346990 0.89 ALDH1A1 (0.50) ALDH1A1LMNATSHRCA1CA2
SCHEMBL5504001 0.89 ALDH1A1 (0.50) ALDH1A1LMNATSHRCA1CA2
SCHEMBL11349061 0.89 ALDH1A1 (0.50) ALDH1A1LMNATSHRCA1CA2
SCHEMBL5509226 0.82 HTT (0.46) ALDH1A1LMNACA1CA2HTT
SCHEMBL11357868 0.80 GSTO1 (0.43) GSTO1ALDH1A1LMNAHTTKMT2A
SCHEMBL11347235 0.78 CA1 (0.50) CA1CA2HTTL3MBTL1KDM4E
SCHEMBL11344914 0.78 ALDH1A1 (0.48) GSTO1ALDH1A1LMNAPKMHTT

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 GSTO1 1595/4885ALDH1A1 1779/4885LMNA 3830/4885

“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.