SCHEMBL5870516

SCHEMBL5870516

CC1OCC(=O)C1NC(=O)C(CC1CCCCC1)S(=O)(=O)Cc1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.37
CTSK P43235 3/20 0.37
CTSL P07711 2/20 0.37
CTSS P25774 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP30 Q70CQ3 1/20 0.35
YAP1 P46937 1/20 0.35
TEAD4 Q15561 1/20 0.35
ADAM17 P78536 1/20 0.34
GCK P35557 3/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5870630 0.85 CTSL (0.37) CTSCCTSKCTSLCTSSGCK
SCHEMBL5870207 0.84 TSHR (0.37) CTSKCTSLCTSSGCKPOLB
SCHEMBL5870500 0.83 CTSS (0.34) CTSKCTSLCTSSUSP30
SCHEMBL5870620 0.83 C5AR1 (0.36) CTSLCTSSUSP30GCK
SCHEMBL5870275 0.81 CTSC (0.43) CTSCNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5870624 0.81 CTSC (0.43) CTSCNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14347626 0.72 NAAA (0.40) CTSCCTSLCTSS
Hydrochloric Acid SCHEMBL5627163 0.72 NAAA (0.39) CTSCCTSLCTSS
Hydrochloric Acid SCHEMBL5627174 0.72 NAAA (0.39) CTSCCTSLCTSS
SCHEMBL5870430 0.70 CTSS (0.42) CTSKCTSLCTSS

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 CTSC 27/4885NPC1 2706/4885RAB9A 2461/4885

“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.