SCHEMBL5870628

SCHEMBL5870628

CC1OCC(=O)C1NC(=O)C(Cc1ccc(O)cc1)S(=O)(=O)Cc1ccc(-c2cccs2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.35
SRC P12931 1/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC6 Q9UBN7 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP2 P08253 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CDK2 P24941 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
HPGDS O60760 1/20 0.33
ADAM17 P78536 1/20 0.33
SCN9A Q15858 1/20 0.32
PSMB5 P28074 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) MMP2CTSLCTSSCTSK
SCHEMBL5870529 0.84 PPARA (0.39) SRCHDAC1HDAC6CDK2PPARG
SCHEMBL5870546 0.83 HDAC1 (0.37) SRCHDAC1HDAC6CDK2CTSL
SCHEMBL5870410 0.80 OPRD1 (0.36)
SCHEMBL5870406 0.70 NAAA (0.41) CTSSCTSK
SCHEMBL5870630 0.67 CTSL (0.37) CTSLCTSSCTSK
SCHEMBL5870460 0.66 ME2 (0.36) MMP2CTSLCTSKPPARGPPARA
SCHEMBL5870399 0.66 PSMB5 (0.47) CTSSCTSKPSMB5
SCHEMBL6962186 0.66 OPRD1 (0.37)
SCHEMBL6752373 0.65 HPGDS (0.49) SRCHDAC1HDAC6CDK2CTSL

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 GRIA2 4063/4885SRC 3017/4885HDAC1 993/4885

“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.