SCHEMBL5520898

SCHEMBL5520898

CC[C@H](NC(=O)C(CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)c1nc2ccccc2o1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.53
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL5416092 0.86 CTSS (0.48) CTSSCYP3A4CYP2C9
SCHEMBL5945992 0.83 CTSS (0.50) CTSSCYP3A4CYP2C9
SCHEMBL5945997 0.83 CTSS (0.50) CTSSCYP3A4CYP2C9
SCHEMBL6062867 0.83 CTSS (0.46) CTSSCYP3A4CYP2C9
SCHEMBL5520928 0.82 CTSS (0.45) CTSS
SCHEMBL14507966 0.82 CTSS (0.49) CTSSCYP3A4CYP2C9
SCHEMBL5946201 0.82 CTSS (0.57) CTSSCYP3A4CYP2C9
SCHEMBL5946225 0.82 CTSS (0.52) CTSSCYP3A4CYP2C9
SCHEMBL14562906 0.82 CTSS (0.56) CTSS
SCHEMBL5415648 0.82 CTSS (0.56) CTSS

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
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US claimed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 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 (2 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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE CTSS 1/4885CYP3A4 1988/4885CYP2C9 2217/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV CTSS 2/4885CYP3A4 4651/4885CYP2C9 4697/4885

“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.