SCHEMBL5870550

SCHEMBL5870550

CC1OCC(=O)C1NC(=O)C(CC(=O)N1Cc2ccccc2C1)Cc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.46
MMP2 P08253 10/20 0.46
MMP1 P03956 6/20 0.46
MMP8 P22894 5/20 0.46
HDAC8 Q9BY41 3/20 0.42
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADAMTS4 O75173 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
SDCBP O00560 1/20 0.36
SDC2 P34741 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
SCHEMBL5870400 0.94 HDAC8 (0.46) MMP9MMP2MMP1MMP8HDAC8
SCHEMBL5870407 0.83 HDAC8 (0.41) MMP9MMP2MMP1MMP8HDAC8
SCHEMBL5870582 0.81 MMP9 (0.41) MMP9MMP2MMP1MMP8
SCHEMBL5870540 0.79 HDAC8 (0.45) HDAC8NPC1RAB9A
SCHEMBL6956963 0.78 MMP1 (0.35) MMP9MMP2MMP1MMP8
SCHEMBL5870248 0.74 PSMB5 (0.43) MMP2MMP1
SCHEMBL6753432 0.74 HDAC8 (0.45) MMP9MMP2MMP1MMP8HDAC8
SCHEMBL4457969 0.73 HDAC8 (0.44) HDAC8
SCHEMBL6294772 0.73 HDAC8 (0.39) MMP9MMP2MMP1MMP8HDAC8
SCHEMBL5870406 0.71 NAAA (0.41) MMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 US disclosed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 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-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 MMP9 356/4885MMP2 94/4885MMP1 151/4885

“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.