SCHEMBL5870437

SCHEMBL5870437

CC1OCC(=O)C1NC(=O)C(Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.46
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP13 P45452 1/20 0.43
CTSK P43235 6/20 0.41
CTSB P07858 4/20 0.41
CTSS P25774 4/20 0.41
NAAA Q02083 2/20 0.40
CTSL P07711 3/20 0.39
MME P08473 1/20 0.38
ACE P12821 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
SCHEMBL5870248 0.96 PSMB5 (0.43) PSMB5MMP1MMP2MMP3MMP13
SCHEMBL5870423 0.95 NAAA (0.47) PSMB5MMP1MMP2MMP3MMP13
SCHEMBL5870401 0.92 PSMB5 (0.40) PSMB5MMP1MMP2MMP3MMP13
SCHEMBL5870562 0.91 PPARG (0.42) PSMB5MMP1MMP2MMP3MMP13
SCHEMBL5870569 0.91 NAAA (0.46) PSMB5MMP1MMP2MMP3MMP13
SCHEMBL5870430 0.86 CTSS (0.42) CTSKCTSBCTSSNAAACTSL
SCHEMBL5870448 0.85 NAAA (0.37) PSMB5MMP1MMP2MMP3MMP13
SCHEMBL5870460 0.84 ME2 (0.36) PSMB5MMP1MMP2MMP3MMP13
SCHEMBL5870529 0.82 PPARA (0.39) PSMB5NAAA
SCHEMBL5870399 0.82 PSMB5 (0.47) PSMB5CTSKCTSBCTSS

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-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
EP-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057248-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 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-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 PSMB5 180/4885MMP1 151/4885MMP2 94/4885

“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.