SCHEMBL6318481

SCHEMBL6318481

O=C(O)[C@H](Cc1ccccc1)N(Cc1ccc(-c2cc3ccccc3o2)o1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL6318487 1.00 PPARA (0.39) PPARAALDH1A1HPGDNPC1RAB9A
SCHEMBL6324801 0.88 PSMB5 (0.45)
SCHEMBL6324795 0.88 PSMB5 (0.45)
SCHEMBL6316090 0.88 MMP12 (0.43) ALDH1A1HPGD
SCHEMBL6316097 0.88 MMP12 (0.43) ALDH1A1HPGD
SCHEMBL6317480 0.86 PPARA (0.43) PPARAALDH1A1HPGDNPC1RAB9A
SCHEMBL6317474 0.86 PPARA (0.43) PPARAALDH1A1HPGDNPC1RAB9A
SCHEMBL6325311 0.85 TP53 (0.46) PPARA
SCHEMBL6324874 0.85 PPARA (0.42) PPARAALDH1A1HPGDMEN1KMT2A
SCHEMBL6324869 0.85 PPARA (0.42) PPARAALDH1A1HPGDMEN1KMT2A

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 PPARA 2311/4885ALDH1A1 245/4885HPGD 3099/4885

“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.