SCHEMBL4825530

SCHEMBL4825530

CCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2n1C)C(=O)c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL14193439 1.00 CTSS (0.43) CTSSCYP3A4CYP2C9
SCHEMBL4823772 0.80 CTSS (0.50) CTSSCYP3A4CYP2C9
SCHEMBL4823757 0.78 CTSS (0.50) CTSSCYP3A4CYP2C9
SCHEMBL5254819 0.78 CTSS (0.42) CTSS
SCHEMBL5254825 0.78 CTSS (0.42) CTSS
SCHEMBL14565675 0.77 CHRNA7 (0.43)
SCHEMBL6752338 0.76 CHRNA7 (0.42)
SCHEMBL6752322 0.75 CTSS (0.43) CTSS
SCHEMBL4825318 0.75 CNR2 (0.44) CYP2C9
SCHEMBL6752320 0.75 GHSR (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 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-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF CTSS 2/4885CYP3A4 1911/4885CYP2C9 1781/4885

“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.