SCHEMBL4085485

SCHEMBL4085485

CC(C)CC(NC(c1ccc(Br)cc1)C(F)(F)F)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.72
CTSK P43235 15/20 0.72
CTSS P25774 14/20 0.72
CTSB P07858 10/20 0.72
GRN P28799 1/20 0.64
SORT1 Q99523 1/20 0.64
FPR2 P25090 1/20 0.52

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
SCHEMBL1169219 1.00 CTSL (0.72) CTSLCTSKCTSSCTSBGRN
SCHEMBL1169217 1.00 CTSL (0.72) CTSLCTSKCTSSCTSBGRN
SCHEMBL4085479 1.00 CTSL (0.72) CTSLCTSKCTSSCTSBGRN
SCHEMBL4786346 1.00 CTSL (0.72) CTSLCTSKCTSSCTSBGRN
SCHEMBL2156284 0.90 CTSL (0.60) CTSLCTSKCTSSCTSBGRN
SCHEMBL3769248 0.87 CTSL (0.56) CTSLCTSKCTSSCTSBGRN
SCHEMBL13624191 0.87 CTSL (0.71) CTSLCTSKCTSSCTSBGRN
SCHEMBL14579994 0.87 CTSL (0.70) CTSLCTSKCTSSCTSBGRN
SCHEMBL2154979 0.87 CTSL (0.70) CTSLCTSKCTSSCTSBGRN
SCHEMBL13624187 0.87 CTSL (0.70) CTSLCTSKCTSSCTSBGRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106916091-B Cathepsin K inhibitors and uses thereof 广东东阳光药业有限公司 2020-10-09 CN disclosed
CN-106866502-B Cathepsin K inhibitors and uses thereof 广东东阳光药业有限公司 2020-10-09 CN disclosed
CN-106916091-A Cathepsin K inhibitor and application thereof 广东东阳光药业有限公司 2017-07-04 CN disclosed
US-20090023747-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2009-01-22 US disclosed
EP-1899336-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-03-19 EP disclosed
WO-2007006716-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO 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-20090023747-A1 Cysteine Protease Inhibitors CTSK, CTSS, CTSZ CTSL 10/4885CTSK 1/4885CTSS 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.