SCHEMBL4045856

SCHEMBL4045856

CC(C)CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.65
CTSS P25774 1/20 0.51
HSD11B1 P28845 5/20 0.40
PREP P48147 2/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL4214206 0.92 CTSK (0.75) CTSKCTSS
SCHEMBL5942163 0.92 CTSK (0.75) CTSKCTSS
SCHEMBL5942166 0.92 CTSK (0.75) CTSKCTSS
SCHEMBL4037673 0.92 CTSK (0.75) CTSKCTSS
SCHEMBL4039382 0.91 CTSK (0.53) CTSKCTSSPREPFAPDPP8
SCHEMBL4039791 0.91 CTSK (0.64) CTSKCTSSPREPFAP
SCHEMBL4039936 0.90 CTSK (0.53) CTSKCTSSPREPFAPDPP8
SCHEMBL4038867 0.90 CTSK (0.66) CTSKCTSSPREPFAPDPP8
SCHEMBL4044660 0.89 CTSK (0.64) CTSKCTSSHSD11B1
SCHEMBL4042002 0.89 CTSK (0.56) CTSKCTSSPREPFAPDPP8

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 3 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

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 3/4885HSD11B1 832/4885

“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.