SCHEMBL6317829

SCHEMBL6317829

CN(C(=O)c1ccc(Cl)cc1Cl)C(Cc1ccccc1-c1ccc2cccc-2o1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
CYP3A4 P08684 1/20 0.34
S1PR4 O95977 1/20 0.34
KCNA5 P22460 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 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
SCHEMBL6316111 0.79 PPARA (0.38) TP53ADAMTS5
SCHEMBL6324779 0.79 PPARA (0.38) TP53ADAMTS5
SCHEMBL6317288 0.77 PPARA (0.46) CYP3A4ALDH1A1TMEM97SIGMAR1
SCHEMBL6325127 0.76 TMEM97 (0.49) CYP3A4ADAMTS5TMEM97SIGMAR1
SCHEMBL6325131 0.76 TMEM97 (0.49) CYP3A4ADAMTS5TMEM97SIGMAR1
SCHEMBL6317818 0.75 MMP12 (0.44) ALDH1A1ADAMTS5
SCHEMBL6318660 0.72 PPARA (0.34) TP53ITGA4ITGB7ALDH1A1
SCHEMBL6316100 0.71 ADAMTS5 (0.38) TP53ADAMTS5TMEM97SIGMAR1
SCHEMBL6316828 0.70 CYP3A4 (0.41) CYP3A4ALDH1A1TMEM97SIGMAR1
SCHEMBL6324583 0.69 PPARG (0.43) TP53CYP3A4ADAMTS5TMEM97SIGMAR1

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
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US claimed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US claimed
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US 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-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS TP53 4354/4885ITGB1 2453/4885ITGA4 3774/4885

“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.