SCHEMBL3877756

SCHEMBL3877756

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

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CTSL P07711 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL5517725 0.84 CTSS (0.48) CTSSCYP3A4CYP2C9
SCHEMBL5519481 0.84 CTSS (0.48) CTSSCYP3A4CYP2C9
SCHEMBL6048146 0.82 CTSS (0.50) CTSSCYP3A4CYP2C9
SCHEMBL3869248 0.80 HDAC4 (0.39)
SCHEMBL5800404 0.77 CTSS (0.43) CTSSCYP3A4CYP2C9CTSK
SCHEMBL27663441 0.77 CTSS (0.57) CTSSCYP3A4CYP2C9
SCHEMBL3870014 0.76 FAAH (0.40) CTSSCYP3A4CYP2C9
SCHEMBL5519871 0.76 FAAH (0.43) CTSSCYP3A4CYP2C9
SCHEMBL5520458 0.76 FAAH (0.43) CTSSCYP3A4CYP2C9
SCHEMBL3877761 0.76 CTSS (0.49) CTSSCYP3A4CYP2C9CTSLCTSK

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-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 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-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK CTSS 2/4885CYP3A4 2062/4885CYP2C9 1881/4885

“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.