SCHEMBL5870207

SCHEMBL5870207

CC1OCC(=O)C1NC(=O)C(CC1CCCCC1)S(=O)(=O)Cc1ccco1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
CTSK P43235 3/20 0.36
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
POLB P06746 3/20 0.35
USP2 O75604 1/20 0.34
GCK P35557 1/20 0.33

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
SCHEMBL5870500 0.85 CTSS (0.34) CTSKCTSLCTSS
SCHEMBL5870516 0.84 CTSC (0.42) CTSKCTSLCTSSALDH1A1POLB
SCHEMBL5870630 0.84 CTSL (0.37) CTSKCTSLCTSSALDH1A1GCK
SCHEMBL5870360 0.81 ALDH1A1 (0.40) TSHRCTSKCTSLCTSSALDH1A1
SCHEMBL5870374 0.81 TSHR (0.38) TSHRCTSKCTSLCTSSALDH1A1
SCHEMBL5870620 0.79 C5AR1 (0.36) CTSLCTSSGCK
SCHEMBL5870538 0.76 TSHR (0.37) TSHRCTSSALDH1A1LMNANPSR1
SCHEMBL6295807 0.74 TSHR (0.34) TSHRCTSSALDH1A1LMNANPSR1
SCHEMBL13677286 0.74 CTSS (0.54) TSHRCTSKCTSLCTSSALDH1A1
SCHEMBL4452957 0.74 CTSS (0.54) TSHRCTSKCTSLCTSSALDH1A1

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 5 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
EP-0550550-B1 3,9-DIAZABICYCLO (3.3.1) NONAN-7-YL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 2003-07-16 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 TSHR 3128/4885CTSK 58/4885CTSL 22/4885

“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.