SCHEMBL6325481

SCHEMBL6325481

O=C(O)[C@H](CC1CCCCC1)N(Cc1ccc(-c2cc3ccccc3o2)cc1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
AGTR1 P30556 1/20 0.39
S1PR1 P21453 5/20 0.39
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
S1PR3 Q99500 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL6325486 1.00 MMP12 (0.41) MMP12MMP13AGTR1S1PR1KMT2A
SCHEMBL6316090 0.86 MMP12 (0.43) MMP12MMP13ALDH1A1
SCHEMBL6316097 0.86 MMP12 (0.43) MMP12MMP13ALDH1A1
SCHEMBL6319773 0.83 MMP12 (0.41) MMP12MMP13NPC1RAB9A
SCHEMBL6318724 0.83 MMP12 (0.41) MMP12MMP13NPC1RAB9A
SCHEMBL6324801 0.79 PSMB5 (0.45)
SCHEMBL6324795 0.79 PSMB5 (0.45)
SCHEMBL6317818 0.78 MMP12 (0.44) MMP12MMP13KMT2AMEN1ALDH1A1
SCHEMBL6316107 0.75 ERAP1 (0.41) MMP12MMP13KMT2AMEN1ALDH1A1
SCHEMBL6316102 0.75 ERAP1 (0.41) MMP12MMP13KMT2AMEN1ALDH1A1

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 MMP12 3249/4885MMP13 3690/4885AGTR1 1153/4885

“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.