SCHEMBL2877952

SCHEMBL2877952

CC(C)(C)OC(=O)n1ccc2cccc(Cl)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.47
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
STS P08842 2/20 0.40
BUB1 O43683 1/20 0.39
BCHE P06276 1/20 0.39
NOTUM Q6P988 2/20 0.38
NR1H2 P55055 2/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LCK P06239 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK8 P45983 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL1349273 0.84 ACLY (0.47) ACLYHSP90AA1HSP90AB1BUB1BCHE
SCHEMBL30711258 0.84 ACLY (0.47) ACLYHSP90AA1HSP90AB1BUB1BCHE
SCHEMBL15971152 0.83 NOTUM (0.41) ACLYBCHENOTUMPOLBMEN1
SCHEMBL16339898 0.82 ACLY (0.54) ACLYHSP90AA1HSP90AB1BUB1BCHE
SCHEMBL21055656 0.82 ACLY (0.47) ACLYHSP90AA1HSP90AB1BUB1BCHE
SCHEMBL1314041 0.82 ACLY (0.47) ACLYHSP90AA1HSP90AB1BUB1BCHE
SCHEMBL1312492 0.82 ACLY (0.54) ACLYHSP90AA1HSP90AB1STSBUB1
SCHEMBL12422252 0.81 HSP90AA1 (0.43) ACLYHSP90AA1HSP90AB1STSBUB1
SCHEMBL26240527 0.81 ACLY (0.46) ACLYHSP90AA1HSP90AB1BUB1BCHE
SCHEMBL4040904 0.81 ACLY (0.46) ACLYHSP90AA1HSP90AB1BUB1BCHE

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 ACLY 4136/4885HSP90AA1 3759/4885HSP90AB1 3504/4885

“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.