SCHEMBL5870448

SCHEMBL5870448

CC1OCC(=O)C1NC(=O)C(Cc1ccc(O)cc1)OCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.37
ESRRG P62508 4/20 0.36
ESRRB O95718 2/20 0.36
ACACB O00763 3/20 0.33
CTSK P43235 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP13 P45452 1/20 0.33
PSMB5 P28074 1/20 0.33
COPS5 Q92905 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CTSL P07711 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
SCHEMBL5870401 0.93 PSMB5 (0.40) NAAACTSKMMP1MMP2MMP3
SCHEMBL5870460 0.91 ME2 (0.36) CTSKMMP1MMP2MMP3MMP13
SCHEMBL5870248 0.89 PSMB5 (0.43) NAAACTSKMMP1MMP2MMP3
SCHEMBL5870569 0.86 NAAA (0.46) NAAACTSKMMP1MMP2MMP3
SCHEMBL5870562 0.85 PPARG (0.42) NAAACTSKMMP1MMP2MMP3
SCHEMBL5870437 0.85 PSMB5 (0.46) NAAACTSKMMP1MMP2MMP3
SCHEMBL5870571 0.83 ALDH1A1 (0.36) NAAAESRRGESRRBACACBCTSK
SCHEMBL5870529 0.82 PPARA (0.39) NAAAPSMB5PPARGPPARA
SCHEMBL6972743 0.82 EPHX1 (0.36) NAAAESRRGESRRBACACBCTSK
SCHEMBL5870399 0.80 PSMB5 (0.47) CTSKPSMB5MAPT

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 NAAA 1250/4885ESRRG 3994/4885ESRRB 4830/4885

“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.