SCHEMBL2880985

SCHEMBL2880985

COC(=O)Cc1c(-c2ccc(Cl)c(S(=O)(=O)NCCCc3ccccc3)c2)[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EGFR P00533 1/20 0.42

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
SCHEMBL2878384 0.95 MAPT (0.48) ALOX5MAPTALDH1A1EGFR
SCHEMBL2875693 0.91 ALDH1A1 (0.46) ALOX5MAPTKDM4EALDH1A1CYP1A2
SCHEMBL2878351 0.88 ALOX5 (0.55) ALOX5MAPTALDH1A1
SCHEMBL2873463 0.86 ACLY (0.51) ALOX5MAPTKDM4EALDH1A1
SCHEMBL2873564 0.86 MAPT (0.44) ALOX5MAPTKDM4EALDH1A1CYP1A2
SCHEMBL2873034 0.85 MGAM (0.46) ALOX5MAPT
SCHEMBL2873653 0.84 MAPT (0.51) ALOX5MAPTEGFR
SCHEMBL2875353 0.83 ALOX5 (0.55) ALOX5MAPTALDH1A1
SCHEMBL2872278 0.81 ACLY (0.51) ALOX5MAPTKDM4EALDH1A1CYP1A2
SCHEMBL2878432 0.81 MGAM (0.45) ALOX5MAPTEGFR

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 ALOX5 171/4885MAPT 2271/4885KDM4E 3810/4885

“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.