SCHEMBL5870539

SCHEMBL5870539

CC1OCC(=O)C1NC(=O)C(CC1CCCCC1)OCc1ccoc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CTSS P25774 6/20 0.33
CTSK P43235 4/20 0.33
CTSB P07858 1/20 0.33
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
NAAA Q02083 2/20 0.32
CTSL P07711 4/20 0.32
OPRK1 P41145 1/20 0.32
CTSV O60911 2/20 0.31
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30

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
SCHEMBL5870430 0.88 CTSS (0.42) CTSSCTSKCTSBNAAACTSL
SCHEMBL5870575 0.84 CTSS (0.37) SLC1A3SLC1A2SLC1A1CTSSCTSK
SCHEMBL5870374 0.83 TSHR (0.38) SLC1A3SLC1A2SLC1A1CTSSCTSK
SCHEMBL5870500 0.82 CTSS (0.34) CTSSCTSKCTSBNAAACTSL
SCHEMBL5870525 0.81 OPRK1 (0.33) CTSSCTSKCTSBNAAACTSL
SCHEMBL5870624 0.81 CTSC (0.43) SLC1A3SLC1A2SLC1A1CTSSCTSK
SCHEMBL5870393 0.78 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1CTSSCTSK
SCHEMBL5870311 0.77 C5AR1 (0.38) CTSSCTSKCTSBCTSLOPRK1
SCHEMBL5870362 0.76 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1CTSSCTSK
SCHEMBL14347626 0.73 NAAA (0.40) CTSSNAAACTSLCTSVMETAP2

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 SLC1A3 4132/4885SLC1A2 4234/4885SLC1A1 4068/4885

“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.