SCHEMBL6802787

SCHEMBL6802787

O=C(CCc1ccccc1)NC(CC1CCCC1)C(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.73
CTSL P07711 5/20 0.73
CTSV O60911 4/20 0.73
CTSK P43235 4/20 0.54
CCR1 P32246 4/20 0.44
MMP2 P08253 3/20 0.43
MMP3 P08254 3/20 0.43
MMP10 P09238 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
HTRA1 Q92743 1/20 0.41
CTSB P07858 1/20 0.41
REN P00797 1/20 0.39
MMP1 P03956 2/20 0.38

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
SCHEMBL4450125 0.99 CTSS (0.74) CTSSCTSLCTSVCTSKCCR1
SCHEMBL13677231 0.99 CTSS (0.74) CTSSCTSLCTSVCTSKCCR1
SCHEMBL6802337 0.99 CTSS (0.74) CTSSCTSLCTSVCTSKCCR1
SCHEMBL6804753 0.95 CTSS (0.66) CTSSCTSLCTSVCTSKCCR1
SCHEMBL6803915 0.95 CTSS (0.68) CTSSCTSLCTSVCTSKCCR1
SCHEMBL6803217 0.91 CTSS (0.75) CTSSCTSLCTSVCTSKCCR1
SCHEMBL6808702 0.90 CTSS (0.77) CTSSCTSLCTSVCTSKCCR1
SCHEMBL13677209 0.90 CTSS (0.77) CTSSCTSLCTSVCTSKCCR1
SCHEMBL4451481 0.90 CTSS (0.77) CTSSCTSLCTSVCTSKCCR1
SCHEMBL13677254 0.89 CTSS (0.58) CTSSCTSLCTSVCTSKCCR1

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 39/4885CTSL 23/4885CTSV 27/4885

“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.