SCHEMBL6316100

SCHEMBL6316100

O=C(O)[C@H](Cc1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccc2cccc-2o1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.38
ERAP1 Q9NZ08 2/20 0.38
PPARA Q07869 1/20 0.36
TP53 P04637 1/20 0.36
MMP2 P08253 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL6319777 0.95 MME (0.35) ADAMTS5ERAP1
SCHEMBL6325491 0.85 METAP2 (0.34)
SCHEMBL6325068 0.83 ADAMTS5 (0.39) ADAMTS5ERAP1PPARAMMP2
SCHEMBL6324798 0.81 NPC1 (0.39) PPARATMEM97SIGMAR1
SCHEMBL6324779 0.79 PPARA (0.38) ADAMTS5ERAP1PPARATP53
SCHEMBL6316111 0.79 PPARA (0.38) ADAMTS5ERAP1PPARATP53
SCHEMBL6325311 0.74 TP53 (0.46) PPARATP53
SCHEMBL6325308 0.74 TP53 (0.46) PPARATP53
SCHEMBL6316856 0.73 PPARA (0.39) PPARA
SCHEMBL6317117 0.73 NPC1 (0.37) ADAMTS5

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 ADAMTS5 1548/4885ERAP1 418/4885PPARA 2311/4885

“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.