SCHEMBL2875900

SCHEMBL2875900

COC(=O)C(=O)c1c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.48
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
PI4KB Q9UBF8 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCR8 P51685 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
BRD3 Q15059 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 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
SCHEMBL5518928 0.93 ALDH1A1 (0.45) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL5508905 0.91 BRD4 (0.48) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL5511259 0.91 BRD4 (0.46) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL5510540 0.90 BRD4 (0.48) BRD4TP53MEN1KMT2AHTT
SCHEMBL27751379 0.90 BRD4 (0.50) BRD4ALDH1A1L3MBTL1PI4KBSMN1; SMN2
SCHEMBL5508160 0.90 BRD4 (0.47) BRD4ALDH1A1TP53PKMALOX15
SCHEMBL2875004 0.89 BRD4 (0.46) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL2875790 0.89 BRD4 (0.46) BRD4ALDH1A1L3MBTL1TP53PKM
SCHEMBL5511872 0.89 BRD4 (0.52) BRD4ALDH1A1L3MBTL1TP53PI4KB
SCHEMBL4180150 0.89 TLR8 (0.42) BRD4ALDH1A1ALOX15SMN1; SMN2MAPK1

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.