SCHEMBL6404198

SCHEMBL6404198

CC(C)(C)[C@H](Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.49
CTSS P25774 7/20 0.48
CTSB P07858 5/20 0.48
CTSV O60911 3/20 0.46
CTSL P07711 1/20 0.46
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SCN4A P35499 1/20 0.41
ENPP2 Q13822 1/20 0.37
PTGS2 P35354 1/20 0.37
TGM2 P21980 1/20 0.37
RAB9A P51151 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.35
PTGS1 P23219 1/20 0.35
HTR2A P28223 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR2 O60603 1/20 0.35

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
SCHEMBL5631657 1.00 CTSK (0.49) CTSKCTSSCTSBCTSVCTSL
SCHEMBL5631408 1.00 CTSK (0.49) CTSKCTSSCTSBCTSVCTSL
SCHEMBL5631115 0.90 CTSK (0.44) CTSKCTSSCTSBCTSVCTSL
SCHEMBL5631111 0.90 CTSK (0.44) CTSKCTSSCTSBCTSVCTSL
SCHEMBL8372652 0.86 CTSK (0.51) CTSKCTSSCTSBCTSVCTSL
SCHEMBL8371623 0.85 POLB (0.46) CTSKCTSSCTSBGAAPTGS2
SCHEMBL5630160 0.84 CTSK (0.47) CTSKCTSSCTSBCTSVGAA
SCHEMBL5629881 0.84 CTSK (0.46) CTSKCTSSCTSBCTSVCTSL
SCHEMBL5630168 0.84 CTSK (0.47) CTSKCTSSCTSBCTSVGAA
SCHEMBL5629875 0.84 CTSK (0.46) CTSKCTSSCTSBCTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ CTSK 1/4885CTSS 6/4885CTSB 4/4885

“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.