SCHEMBL6325111

SCHEMBL6325111

Cc1cc(Cl)ccc1C(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.39
PPARA Q07869 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
PDK1 Q15118 1/20 0.38

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
SCHEMBL6325115 1.00 PTGES (0.41) PTGESADAMTS5PPARAOPRM1OPRD1
SCHEMBL6316096 0.90 PTGES (0.42) PTGES
SCHEMBL6316088 0.90 PTGES (0.42) PTGES
SCHEMBL6320755 0.90 PTGES (0.42) PTGESPPARA
SCHEMBL6317896 0.90 PPARA (0.45) PTGESADAMTS5PPARAOPRM1OPRD1
SCHEMBL6317898 0.90 PPARA (0.45) PTGESADAMTS5PPARAOPRM1OPRD1
SCHEMBL6319932 0.90 PTGES (0.42) PTGESPPARA
SCHEMBL6323585 0.89 PTGES (0.43) PTGESADAMTS5PPARA
SCHEMBL6323590 0.89 PTGES (0.43) PTGESADAMTS5PPARA
SCHEMBL6317694 0.88 PPARA (0.39) PTGESADAMTS5PPARAOPRM1OPRD1

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 PTGES 2158/4885ADAMTS5 1548/4885PPARA 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.