SCHEMBL3874447

SCHEMBL3874447

COC(=O)[C@H](CC(F)(F)Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
GFER P55789 1/20 0.54
CTSS P25774 14/20 0.53
CTSK P43235 4/20 0.53
CTSB P07858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 1/20 0.52
CTSL P07711 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
SCHEMBL3874452 1.00 POLB (0.54) POLBGFERCTSSCTSKCTSB
SCHEMBL3872529 0.89 CTSS (0.54) POLBCTSSCTSKCTSBCYP2C9
SCHEMBL3871541 0.89 CTSS (0.54) POLBCTSSCTSKCTSBCYP2C9
SCHEMBL346098 0.87 CTSB (0.68) POLBGFERCTSSCTSKCTSB
SCHEMBL346100 0.87 CTSB (0.68) POLBGFERCTSSCTSKCTSB
SCHEMBL346509 0.85 CTSB (0.64) POLBGFERCTSSCTSKCTSB
SCHEMBL346507 0.85 CTSB (0.64) POLBGFERCTSSCTSKCTSB
SCHEMBL13937580 0.84 CTSS (0.60) CTSSCTSKCTSBCTSL
SCHEMBL7268474 0.83 POLB (0.76) POLBGFERCTSSCTSBKDM4E
SCHEMBL7268468 0.83 POLB (0.76) POLBGFERCTSSCTSBKDM4E

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-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
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 POLB 736/4885GFER 3760/4885CTSS 2/4885

“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.