SCHEMBL4091840

SCHEMBL4091840

CC(C)CC(N[C@@H](c1cccc(Br)c1)C(F)(F)F)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.62
SORT1 Q99523 1/20 0.62
CTSL P07711 12/20 0.54
CTSK P43235 9/20 0.54
CTSS P25774 8/20 0.54
CTSB P07858 5/20 0.54
TP53 P04637 1/20 0.45

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
SCHEMBL4091835 1.00 GRN (0.62) GRNSORT1CTSLCTSKCTSS
SCHEMBL4787584 1.00 GRN (0.62) GRNSORT1CTSLCTSKCTSS
SCHEMBL2155752 0.85 CTSL (0.78) CTSLCTSKCTSSCTSB
SCHEMBL14579994 0.85 CTSL (0.70) GRNSORT1CTSLCTSKCTSS
SCHEMBL13624187 0.85 CTSL (0.70) GRNSORT1CTSLCTSKCTSS
SCHEMBL2154979 0.85 CTSL (0.70) GRNSORT1CTSLCTSKCTSS
SCHEMBL8293560 0.85 CTSL (0.57) CTSLCTSKCTSSCTSB
SCHEMBL1169219 0.84 CTSL (0.72) GRNSORT1CTSLCTSKCTSS
SCHEMBL4085485 0.84 CTSL (0.72) GRNSORT1CTSLCTSKCTSS
SCHEMBL4085479 0.84 CTSL (0.72) GRNSORT1CTSLCTSKCTSS

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-20090023747-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2009-01-22 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-20090023747-A1 Cysteine Protease Inhibitors CTSK, CTSS, CTSZ GRN 2703/4885SORT1 4431/4885CTSL 10/4885

“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.