SCHEMBL4038871

SCHEMBL4038871

CCCC(NC(=O)OCc1ccccc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.42
CTSS P25774 7/20 0.42
CTSB P07858 4/20 0.42
CTSL P07711 9/20 0.41
TGM2 P21980 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4048640 0.92 CTSK (0.51) CTSKCTSSCTSBCTSL
SCHEMBL4042582 0.91 CTSK (0.44) CTSKCTSSCTSBCTSLTGM2
SCHEMBL4042885 0.89 TGM2 (0.44) CTSKCTSSCTSBCTSLTGM2
SCHEMBL4048312 0.88 KCNQ1 (0.40) CTSKALDH1A1
SCHEMBL4044118 0.87 CTSK (0.43) CTSKCTSSCTSBCTSLTGM2
SCHEMBL4047781 0.87 CTSK (0.42) CTSKCTSSCTSBCTSLDPP4
SCHEMBL4039018 0.85 HSD17B10 (0.36) CTSKCTSSALDH1A1
SCHEMBL4047976 0.85 CTSK (0.43) CTSKCTSSCTSBCTSLTGM2
SCHEMBL4044730 0.85 LMNA (0.39) CTSKALDH1A1
SCHEMBL4047006 0.85 HSD17B10 (0.38) CTSKALDH1A1

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885CTSB 21/4885

“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.