SCHEMBL5945992

SCHEMBL5945992

CCC(NC(=O)C(CC1CCCCC1)N/C(C)=N/S(C)(=O)=O)C(=O)c1nc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL5945997 1.00 CTSS (0.50) CTSSCYP3A4CYP2C9
SCHEMBL5946225 0.90 CTSS (0.52) CTSSCYP3A4CYP2C9
SCHEMBL14507966 0.90 CTSS (0.49) CTSSCYP3A4CYP2C9
SCHEMBL5946218 0.90 CTSS (0.52) CTSSCYP3A4CYP2C9
SCHEMBL14507965 0.89 CTSS (0.48) CTSSCYP3A4CYP2C9
SCHEMBL5472120 0.88 CTSS (0.51) CTSSCYP3A4CYP2C9
SCHEMBL5472122 0.88 CTSS (0.51) CTSSCYP3A4CYP2C9
SCHEMBL8285374 0.88 CTSS (0.51) CTSSCYP3A4CYP2C9
SCHEMBL5472117 0.88 CTSS (0.51) CTSSCYP3A4CYP2C9
SCHEMBL14507978 0.86 CTSS (0.54) CTSSCYP3A4CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 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-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS CTSS 3/4885CYP3A4 3067/4885CYP2C9 3015/4885

“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.