SCHEMBL6319972

SCHEMBL6319972

O=C(O)[C@H](Cc1ccccc1)N(Cc1ccc(-c2cccs2)s1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
DPP4 P27487 1/20 0.37
KIF11 P52732 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL6317283 0.90 PPARA (0.38) NPC1RAB9APPARA
SCHEMBL6318191 0.88 SHMT1 (0.40) PPARA
SCHEMBL6320128 0.88 SHMT1 (0.40) PPARA
SCHEMBL6322230 0.88 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6322231 0.88 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6316454 0.87 TP53 (0.38) PPARA
SCHEMBL6316449 0.87 TP53 (0.38) PPARA
SCHEMBL6317248 0.87 KIF11 (0.39) KIF11PPARA
SCHEMBL6318448 0.87 KIF11 (0.39) KIF11PPARA
SCHEMBL6315673 0.85 CYP3A4 (0.40) PPARA

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 ALDH1A1 245/4885DPP4 177/4885KIF11 2199/4885

“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.