SCHEMBL6316852

SCHEMBL6316852

O=C(O)[C@H](Cc1ccccc1)N(Cc1cccc(-c2cc3ccccc3o2)c1)C(=O)c1ccc(Cl)cc1Br

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.44
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ERAP1 Q9NZ08 2/20 0.38
PPARA Q07869 1/20 0.37
POLB P06746 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
SCHEMBL6316858 1.00 PSMB5 (0.44) PSMB5MAOAMAOBERAP1PPARA
SCHEMBL6324795 0.91 PSMB5 (0.45) PSMB5ERAP1
SCHEMBL6324801 0.91 PSMB5 (0.45) PSMB5ERAP1
SCHEMBL6317119 0.90 PSMB5 (0.46) PSMB5ERAP1
SCHEMBL6317113 0.90 PSMB5 (0.46) PSMB5ERAP1
SCHEMBL6316097 0.84 MMP12 (0.43) ERAP1
SCHEMBL6316090 0.84 MMP12 (0.43) ERAP1
SCHEMBL6316559 0.83 PSMB5 (0.49) PSMB5
SCHEMBL6316551 0.83 PSMB5 (0.49) PSMB5
SCHEMBL6317898 0.82 PPARA (0.45) 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 8 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
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 PSMB5 2872/4885MAOA 1289/4885MAOB 725/4885

“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.