SCHEMBL6063167

SCHEMBL6063167

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CCc1ccccc1)C(=O)c1nc(C(=O)NCCCc2ccccc2)co1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.51
CTSB P07858 5/20 0.51
CAPN1 P07384 1/20 0.49
CAPN2 P17655 1/20 0.49
CTSK P43235 5/20 0.48
CTSS P25774 2/20 0.48
MMP3 P08254 1/20 0.48
CA5A P35218 1/20 0.47

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
SCHEMBL6061873 0.95 CA5A (0.53) CTSLCTSBCTSKCTSSMMP3
SCHEMBL6064394 0.95 CA5A (0.53) CTSLCTSBCTSKCTSSMMP3
SCHEMBL6463220 0.92 CTSL (0.51) CTSLCTSBCTSKCTSSMMP3
SCHEMBL6464217 0.91 CTSL (0.54) CTSLCTSBCAPN1CTSKCTSS
SCHEMBL6062922 0.90 CTSL (0.53) CTSLCTSBCAPN1CTSKCTSS
SCHEMBL6477967 0.90 MMP3 (0.44) CTSLCTSBCTSKCTSSMMP3
SCHEMBL7048648 0.89 CTSL (0.51) CTSLCTSBCAPN1CTSKCTSS
SCHEMBL6061866 0.89 CTSL (0.51) CTSLCTSBCAPN1CTSKCTSS
SCHEMBL6061869 0.89 CTSL (0.51) CTSLCTSBCAPN1CTSKCTSS
SCHEMBL6062866 0.89 MMP3 (0.55) CTSLCTSBCTSKMMP3

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-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CTSL 18/4885CTSB 11/4885CAPN1 56/4885

“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.