SCHEMBL6324643

SCHEMBL6324643

O=C(O)[C@H](Cc1ccccc1)N(Cc1cc(-c2cc(F)cc(F)c2)cs1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.37
CYP3A4 P08684 1/20 0.37
ERAP1 Q9NZ08 2/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KIF11 P52732 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
SCHEMBL6324648 1.00 PPARA (0.37) PPARACYP3A4ERAP1ADAMTS5TMEM97
SCHEMBL6315771 0.93 TP53 (0.38) PPARA
SCHEMBL6315768 0.93 TP53 (0.38) PPARA
SCHEMBL6317567 0.90 ADAMTS5 (0.38) PPARACYP3A4ADAMTS5TMEM97SIGMAR1
SCHEMBL6317572 0.90 ADAMTS5 (0.38) PPARACYP3A4ADAMTS5TMEM97SIGMAR1
SCHEMBL6317498 0.89 PPARA (0.39) PPARACYP3A4ADAMTS5KIF11
SCHEMBL6317493 0.89 PPARA (0.39) PPARACYP3A4ADAMTS5KIF11
SCHEMBL6325614 0.88 KMT2A (0.39) PPARAADAMTS5KIF11
SCHEMBL6322789 0.88 ADAMTS5 (0.39) PPARAADAMTS5TMEM97SIGMAR1KIF11
SCHEMBL6325609 0.88 KMT2A (0.39) PPARAADAMTS5KIF11

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 6 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
EP-1395571-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Shire Biochem Inc. (CA) 2004-03-10 EP disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US disclosed
WO-2002100846-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SHIRE BIOCHEM INC. (CA) 2002-12-19 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-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS PPARA 2311/4885CYP3A4 452/4885ERAP1 418/4885

“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.