SCHEMBL5870571

SCHEMBL5870571

CC1OCC(=O)C1NC(=O)C(Cc1ccc(O)cc1)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ESRRG P62508 5/20 0.35
ESRRB O95718 2/20 0.35
UQCRB P14927 1/20 0.34
CTSK P43235 3/20 0.33
NAAA Q02083 1/20 0.33
ACACB O00763 2/20 0.33
COPS5 Q92905 1/20 0.33
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
HDAC8 Q9BY41 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32

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
SCHEMBL5870300 0.88 NAAA (0.41) CTSKNAAACTSLCTSS
SCHEMBL5870628 0.83 GRIA2 (0.35) CTSKCTSLCTSS
SCHEMBL5870448 0.83 NAAA (0.37) ALDH1A1MAPTESRRGESRRBCTSK
SCHEMBL5870410 0.82 OPRD1 (0.36)
SCHEMBL6972743 0.82 EPHX1 (0.36) ALDH1A1MAPTESRRGESRRBCTSK
SCHEMBL6753529 0.77 ESRRG (0.34) ALDH1A1MAPTESRRGESRRBUQCRB
SCHEMBL5870401 0.76 PSMB5 (0.40) ALDH1A1MAPTCTSKNAAACTSL
SCHEMBL5870460 0.74 ME2 (0.36) CTSKCTSL
SCHEMBL5870248 0.71 PSMB5 (0.43) CTSKNAAACTSLCTSS
SCHEMBL5870569 0.69 NAAA (0.46) CTSKNAAACTSS

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 ALDH1A1 2913/4885MAPT 4841/4885ESRRG 3994/4885

“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.