SCHEMBL5508316

SCHEMBL5508316

O=C(O)CCC(=O)c1ccc(Cl)c(S(=O)(=O)NCCC2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ FABP4 P15090 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GSTO1 P78417 2/20 0.38

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
SCHEMBL5503771 0.89 KMT2A (0.52) CNR2CA1CA2POLBTDP1
SCHEMBL5510059 0.89 KMT2A (0.52) CNR2CA1CA2POLBTDP1
SCHEMBL5508077 0.82 ALDH1A1 (0.50) CNR2CA1CA2TDP1L3MBTL1
SCHEMBL11346990 0.82 ALDH1A1 (0.50) CNR2CA1CA2TDP1L3MBTL1
SCHEMBL11349061 0.82 ALDH1A1 (0.50) CNR2CA1CA2TDP1L3MBTL1
SCHEMBL5504001 0.82 ALDH1A1 (0.50) CNR2CA1CA2TDP1L3MBTL1
SCHEMBL5508282 0.81 ALDH1A1 (0.51) CNR2CA1CA2TDP1L3MBTL1
SCHEMBL11354624 0.81 CA1 (0.48) CA1CA2POLBTDP1L3MBTL1
SCHEMBL11346245 0.78 CA1 (0.45) CA1CA2POLBL3MBTL1HTT
SCHEMBL5504049 0.78 CA1 (0.48) CA1CA2POLBTDP1L3MBTL1

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
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

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 CNR2 22/4885CA1 3015/4885CA2 1065/4885

“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.

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