SCHEMBL6316102

SCHEMBL6316102

O=C(O)[C@H](Cc1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)c1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 2/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NFKB1 P19838 1/20 0.37
NPY1R P25929 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 4/20 0.36
CYP3A4 P08684 1/20 0.36
CNR1 P21554 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
SCHEMBL6316107 1.00 ERAP1 (0.41) ERAP1MMP12MMP13ADAMTS5NPC1
SCHEMBL6318651 0.88 MEN1 (0.37) ERAP1MMP12MMP13NPC1RAB9A
SCHEMBL6316090 0.87 MMP12 (0.43) ERAP1MMP12MMP13ALDH1A1HPGD
SCHEMBL6316097 0.87 MMP12 (0.43) ERAP1MMP12MMP13ALDH1A1HPGD
SCHEMBL6317818 0.86 MMP12 (0.44) ERAP1MMP12MMP13ADAMTS5NPC1
SCHEMBL6318724 0.83 MMP12 (0.41) ERAP1MMP12MMP13NPC1RAB9A
SCHEMBL6319773 0.83 MMP12 (0.41) ERAP1MMP12MMP13NPC1RAB9A
SCHEMBL6324795 0.82 PSMB5 (0.45) ERAP1BCHE
SCHEMBL6324801 0.82 PSMB5 (0.45) ERAP1BCHE
SCHEMBL6325062 0.81 MMP12 (0.44) ERAP1MMP12MMP13ADAMTS5NPC1

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 ERAP1 418/4885MMP12 3249/4885MMP13 3690/4885

“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.