SCHEMBL2880986

SCHEMBL2880986

Cc1cccc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)NC4CCCCC4)c3)cc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.57
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ BRD2 P25440 2/20 0.46
▸ BRD3 Q15059 2/20 0.46
▸ TP53 P04637 1/20 0.45
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
Tert-Butyl Formate SCHEMBL28778019 0.92 BRD4 (0.49) BRD4TDP1ALDH1A1L3MBTL1BRD2
SCHEMBL2876527 0.91 BRD4 (0.60) BRD4TDP1ALDH1A1L3MBTL1BRD2
SCHEMBL2873148 0.88 BRD4 (0.57) BRD4TDP1ALDH1A1L3MBTL1BRD2
Tert-Butyl Formate SCHEMBL27772038 0.84 BRD4 (0.51) BRD4TDP1ALDH1A1L3MBTL1BRD2
SCHEMBL2873486 0.83 BRD4 (0.61) BRD4ALDH1A1L3MBTL1TP53LMNA
SCHEMBL13774518 0.82 BRD4 (0.53) BRD4TDP1ALDH1A1L3MBTL1BRD2
SCHEMBL5516214 0.79 BRD4 (0.61) BRD4BRD2BRD3TP53MEN1
SCHEMBL5513356 0.78 BRD4 (0.60) BRD4ALDH1A1L3MBTL1BRD2BRD3
SCHEMBL5514479 0.78 BRD4 (0.62) BRD4ALDH1A1L3MBTL1BRD2BRD3
SCHEMBL2877793 0.78 BRD4 (0.60) BRD4ALDH1A1L3MBTL1BRD2BRD3

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
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
WO-2008014186-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-01-31 — — 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-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, CYSLTR2 BRD4 1328/4885TDP1 4324/4885ALDH1A1 1757/4885

“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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