SCHEMBL7043368

SCHEMBL7043368

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CCc1ccccc1)C(O)c1nc(C(=O)N[C@H](C)c2ccccc2)co1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.49
CTSB P07858 3/20 0.47
CTSK P43235 8/20 0.47
PSMB1 P20618 1/20 0.47
CTSS P25774 2/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44

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
SCHEMBL7043366 1.00 CTSL (0.49) CTSLCTSBCTSKPSMB1CTSS
SCHEMBL7046087 1.00 CTSL (0.49) CTSLCTSBCTSKPSMB1CTSS
SCHEMBL6061832 0.94 CTSL (0.52) CTSLCTSBCTSKPSMB1CTSS
SCHEMBL6467335 0.91 CTSL (0.51) CTSLCTSBCTSKPSMB1CTSS
SCHEMBL6062791 0.91 CTSL (0.54) CTSLCTSBCTSKPSMB1CTSS
SCHEMBL6466256 0.90 MMP9 (0.44) PSMB1MMP1MMP3
SCHEMBL6467305 0.90 MMP9 (0.44) PSMB1MMP1MMP3
SCHEMBL6467310 0.90 MMP9 (0.44) PSMB1MMP1MMP3
SCHEMBL6062759 0.90 PSMB1 (0.55) CTSLCTSBCTSKPSMB1CTSS
SCHEMBL7043370 0.90 CA5A (0.51) CTSLCTSBCTSKPSMB1CTSS

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 CTSL 18/4885CTSB 11/4885CTSK 32/4885

“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.