SCHEMBL6804753

SCHEMBL6804753

O=C(CCc1ccccc1)NC(CC1CCCC1)C(=O)N1CCCC2OCC(=O)C21

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.66
CTSL P07711 4/20 0.66
CTSV O60911 4/20 0.66
CTSK P43235 4/20 0.49
MMP2 P08253 2/20 0.44
MMP8 P22894 2/20 0.44
MMP12 P39900 2/20 0.44
MMP3 P08254 1/20 0.44
MMP10 P09238 1/20 0.44
MMP13 P45452 1/20 0.44
CCR1 P32246 4/20 0.43
HTRA1 Q92743 1/20 0.40
CTSB P07858 1/20 0.40
PREP P48147 1/20 0.39
REN P00797 1/20 0.39
ACE P12821 1/20 0.38
ACE2 Q9BYF1 1/20 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
SCHEMBL6803915 0.99 CTSS (0.68) CTSSCTSLCTSVCTSKMMP2
SCHEMBL6802787 0.95 CTSS (0.73) CTSSCTSLCTSVCTSKMMP2
SCHEMBL4450125 0.95 CTSS (0.74) CTSSCTSLCTSVCTSKMMP2
SCHEMBL13677231 0.95 CTSS (0.74) CTSSCTSLCTSVCTSKMMP2
SCHEMBL6802337 0.95 CTSS (0.74) CTSSCTSLCTSVCTSKMMP2
SCHEMBL6798026 0.91 CTSS (0.68) CTSSCTSLCTSVCTSKCCR1
SCHEMBL6804029 0.90 CTSS (0.70) CTSSCTSLCTSVCTSKCCR1
SCHEMBL4449529 0.90 CTSS (0.54) CTSSCTSLCTSVCTSKMMP2
SCHEMBL4458907 0.88 CTSK (0.55) CTSSCTSLCTSVCTSKMMP2
SCHEMBL4454239 0.87 CTSS (0.49) CTSSCTSLCTSVCTSKMMP2

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.