SCHEMBL6315666

SCHEMBL6315666

O=C(O)[C@H](Cc1ccccc1)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37
ACKR3 P25106 1/20 0.37
PPARA Q07869 1/20 0.36
TP53 P04637 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
SCHEMBL6315673 1.00 CYP3A4 (0.40) CYP3A4HSD17B1HSD17B2ADAMTS5ACKR3
SCHEMBL6322627 0.93 ACKR3 (0.40) HSD17B1HSD17B2ACKR3TP53
SCHEMBL6322629 0.93 ACKR3 (0.40) HSD17B1HSD17B2ACKR3TP53
SCHEMBL6318993 0.93 ACKR3 (0.38) CYP3A4ADAMTS5ACKR3PPARA
SCHEMBL6318988 0.93 ACKR3 (0.38) CYP3A4ADAMTS5ACKR3PPARA
SCHEMBL6319513 0.92 ADAMTS5 (0.37) CYP3A4ADAMTS5PPARA
SCHEMBL6320085 0.92 ADAMTS5 (0.37) CYP3A4ADAMTS5PPARA
SCHEMBL6316826 0.91 ERCC5 (0.39) CYP3A4ADAMTS5PPARA
SCHEMBL6316819 0.91 ERCC5 (0.39) CYP3A4ADAMTS5PPARA
SCHEMBL6318307 0.91 RORC (0.39) 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 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
EP-1395571-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Shire Biochem Inc. (CA) 2004-03-10 EP claimed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US claimed
WO-2002100846-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SHIRE BIOCHEM INC. (CA) 2002-12-19 WO 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 CYP3A4 452/4885HSD17B1 450/4885HSD17B2 991/4885

“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.