SCHEMBL5870360

SCHEMBL5870360

CC1OCC(=O)C1NC(=O)C(CC1CCCCC1)SCc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 6/20 0.34
CTSS P25774 4/20 0.34
CTSL P07711 3/20 0.34
CTSV O60911 2/20 0.34
CTSK P43235 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 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
SCHEMBL5870275 0.83 CTSC (0.43) HPGDSMN1; SMN2CTSSCTSLCTSV
SCHEMBL5870525 0.83 OPRK1 (0.33) SMN1; SMN2CTSSCTSLCTSVCTSK
SCHEMBL5870374 0.81 TSHR (0.38) ALDH1A1HPGDSMN1; SMN2TDP1TSHR
SCHEMBL5870207 0.81 TSHR (0.37) ALDH1A1TDP1TSHRCTSSCTSL
SCHEMBL5870549 0.81 CTSL (0.37) ALDH1A1SMN1; SMN2CTSSCTSLCTSV
SCHEMBL5870371 0.79 C5AR1 (0.36) SMN1; SMN2CTSSCTSLCTSVMAPT
SCHEMBL5870316 0.76 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2TDP1TSHR
SCHEMBL5870320 0.76 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2TDP1TSHR
SCHEMBL4448207 0.76 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2TDP1TSHR
SCHEMBL5870104 0.76 HPGD (0.38) ALDH1A1HPGDSMN1; SMN2TDP1TSHR

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 ALDH1A1 2913/4885HPGD 2487/4885SMN1; SMN2 3151/4885

“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.