SCHEMBL6803752

SCHEMBL6803752

O=C(CCc1ccccc1)NC(CSCc1ccccc1)C(=O)N1CCCC2OCC(=O)C21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.49
CTSV O60911 4/20 0.49
CTSL P07711 3/20 0.49
CTSK P43235 4/20 0.45
CCR1 P32246 4/20 0.42
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP10 P09238 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PREP P48147 1/20 0.38
CCKBR P32239 1/20 0.38
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACE P12821 1/20 0.35
ACE2 Q9BYF1 1/20 0.35

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
SCHEMBL13677230 0.95 CTSS (0.52) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4449170 0.95 CTSS (0.52) CTSSCTSVCTSLCTSKCCR1
SCHEMBL5105252 0.95 CTSS (0.52) CTSSCTSVCTSLCTSKCCR1
SCHEMBL6802726 0.91 CTSS (0.50) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4449529 0.88 CTSS (0.54) CTSSCTSVCTSLCTSKCCR1
SCHEMBL5105216 0.88 CTSS (0.64) CTSSCTSVCTSLCTSKACE
SCHEMBL13677389 0.88 CTSS (0.64) CTSSCTSVCTSLCTSKACE
SCHEMBL13677375 0.88 CTSS (0.64) CTSSCTSVCTSLCTSKACE
SCHEMBL4449984 0.88 CTSS (0.64) CTSSCTSVCTSLCTSKACE
SCHEMBL4454239 0.87 CTSS (0.49) CTSSCTSVCTSLCTSKCCR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 US 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CTSS 39/4885CTSV 27/4885CTSL 23/4885

“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.