SCHEMBL5870575

SCHEMBL5870575

CC1OCC(=O)C1NC(=O)C(CC1CCCCC1)OCc1ccsc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.37
CTSL P07711 3/20 0.37
CTSK P43235 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PTBP1 P26599 1/20 0.37
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
UBLCP1 Q8WVY7 1/20 0.32
NAAA Q02083 2/20 0.32
CTSB P07858 1/20 0.31
CTSC P53634 1/20 0.31
CTSV O60911 2/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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 0.87 CTSS (0.42) CTSSCTSLCTSKNAAACTSB
SCHEMBL5870624 0.84 CTSC (0.43) CTSSCTSLCTSKSLC1A3SLC1A2
SCHEMBL5870539 0.84 SLC1A3 (0.34) CTSSCTSLCTSKSLC1A3SLC1A2
SCHEMBL5870549 0.82 CTSL (0.37) CTSSCTSLCTSKALDH1A1MAPT
SCHEMBL5870630 0.82 CTSL (0.37) CTSSCTSLCTSKALDH1A1MAPT
SCHEMBL5870374 0.81 TSHR (0.38) CTSSCTSLCTSKALDH1A1SLC1A3
SCHEMBL5870311 0.80 C5AR1 (0.38) CTSSCTSLCTSKMAPTCTSB
SCHEMBL14347626 0.72 NAAA (0.40) CTSSCTSLNAAACTSCCTSV
SCHEMBL5870437 0.72 PSMB5 (0.46) CTSSCTSLCTSKNAAACTSB
Hydrochloric Acid SCHEMBL5627163 0.72 NAAA (0.39) CTSSCTSLNAAACTSCCTSV

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 CTSS 24/4885CTSL 22/4885CTSK 58/4885

“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.