SCHEMBL7043370

SCHEMBL7043370

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CCc1ccccc1)C(O)c1nc(C(=O)NCCc2ccccc2)co1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.51
CTSL P07711 8/20 0.50
PSMB1 P20618 1/20 0.49
CTSB P07858 4/20 0.48
CA1 P00915 1/20 0.48
CTSK P43235 7/20 0.48
CTSS P25774 2/20 0.48
CAPN1 P07384 1/20 0.46
CAPN2 P17655 1/20 0.46

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
SCHEMBL6467308 0.95 CTSL (0.49) CA5ACTSLPSMB1CTSBCTSK
SCHEMBL6062759 0.94 PSMB1 (0.55) CA5ACTSLPSMB1CTSBCTSK
SCHEMBL6061832 0.93 CTSL (0.52) CTSLPSMB1CTSBCTSKCTSS
SCHEMBL6467335 0.92 CTSL (0.51) CTSLPSMB1CTSBCTSKCTSS
SCHEMBL6062791 0.92 CTSL (0.54) CTSLPSMB1CTSBCTSKCTSS
SCHEMBL6465270 0.91 MMP3 (0.52) CTSLPSMB1CTSBCTSK
SCHEMBL6466258 0.90 ANPEP (0.46) PSMB1
SCHEMBL7046087 0.90 CTSL (0.49) CTSLPSMB1CTSBCTSKCTSS
SCHEMBL7043366 0.90 CTSL (0.49) CTSLPSMB1CTSBCTSKCTSS
SCHEMBL7043368 0.90 CTSL (0.49) CTSLPSMB1CTSBCTSKCTSS

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 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 CA5A 1128/4885CTSL 18/4885PSMB1 188/4885

“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.