SCHEMBL14673271

SCHEMBL14673271

CC(C)(C)C[C@H](NCC#N)C(=O)N[C@@H](c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.55
CTSK P43235 15/20 0.55
CTSS P25774 12/20 0.55
CTSB P07858 11/20 0.55
CTSF Q9UBX1 1/20 0.43

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
SCHEMBL14673197 0.93 CTSK (0.55) CTSLCTSKCTSSCTSBCTSF
SCHEMBL14673525 0.89 CTSK (0.55) CTSLCTSKCTSSCTSB
SCHEMBL2155014 0.86 CTSK (0.71) CTSLCTSKCTSSCTSB
SCHEMBL14673246 0.86 CTSK (0.55) CTSLCTSKCTSSCTSB
SCHEMBL6363596 0.83 CTSK (0.60) CTSLCTSKCTSSCTSB
SCHEMBL14672972 0.82 CTSK (0.59) CTSLCTSKCTSSCTSBCTSF
SCHEMBL2156497 0.78 CTSK (0.70) CTSLCTSKCTSSCTSB
SCHEMBL13906546 0.77 CTSK (0.55) CTSLCTSKCTSSCTSB
SCHEMBL4679661 0.75 CTSK (0.59) CTSLCTSKCTSSCTSBCTSF
SCHEMBL2156139 0.75 CTSK (0.59) CTSLCTSKCTSSCTSBCTSF

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-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS AXYS PHARMACEUTICALS, INC. (US) 2013-02-07 US claimed

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-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS CTSB, CTSS, CTSZ CTSL 8/4885CTSK 4/4885CTSS 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.