SCHEMBL5870624

SCHEMBL5870624

CC1OCC(=O)C1NC(=O)C(CC1CCCCC1)OCc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.43
CTSK P43235 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35
YAP1 P46937 1/20 0.35
TEAD4 Q15561 1/20 0.35
CTSS P25774 3/20 0.35
ADAM17 P78536 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CTSL P07711 1/20 0.34
TP53 P04637 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
CYP3A4 P08684 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
SCHEMBL5870430 0.86 CTSS (0.42) CTSKCTSSCTSL
SCHEMBL5870575 0.84 CTSS (0.37) CTSCCTSKCTSSSLC1A3SLC1A2
SCHEMBL5870374 0.83 TSHR (0.38) CTSKSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL5870311 0.83 C5AR1 (0.38) CTSKSMN1; SMN2CTSSCTSLTP53
SCHEMBL5870539 0.81 SLC1A3 (0.34) CTSKMEN1KMT2ACTSSSLC1A3
SCHEMBL5870275 0.81 CTSC (0.43) CTSCCTSKSMN1; SMN2NPC1RAB9A
SCHEMBL5870516 0.81 CTSC (0.42) CTSCCTSKSMN1; SMN2NPC1RAB9A
SCHEMBL14347626 0.73 NAAA (0.40) CTSCCTSSCTSL
Hydrochloric Acid SCHEMBL5627174 0.72 NAAA (0.39) CTSCCTSSCTSL
Hydrochloric Acid SCHEMBL5627163 0.72 NAAA (0.39) CTSCCTSSCTSL

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 27/4885CTSK 58/4885SMN1; 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.