SCHEMBL2875790

SCHEMBL2875790

COC(=O)C(=O)c1c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2cccc(Cl)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.46
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 2/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40

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
SCHEMBL2878010 0.93 BRD4 (0.45) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL2878374 0.92 BRD4 (0.44) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL2873159 0.92 BRD4 (0.44) BRD4ALDH1A1L3MBTL1TP53TUBB4A
SCHEMBL27772052 0.90 BRD4 (0.48) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL2875900 0.89 BRD4 (0.48) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL2875004 0.88 BRD4 (0.46) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL3998583 0.87 BRD4 (0.46) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL2880668 0.84 BRD4 (0.45) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL5511259 0.84 BRD4 (0.46) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL5508905 0.84 BRD4 (0.48) BRD4ALDH1A1L3MBTL1TP53PKM

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 1328/4885ALDH1A1 1757/4885L3MBTL1 3527/4885

“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.