SCHEMBL4703633

SCHEMBL4703633

CC(C)CC(Nc1sncc1Br)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
FPR2 P25090 1/20 0.41
GRN P28799 3/20 0.39
SORT1 Q99523 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK8 P45983 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
CA2 P00918 2/20 0.36

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
SCHEMBL4703635 1.00 CTSL (0.41) CTSLCTSBCTSSFPR2GRN
SCHEMBL4699623 0.86 FOLH1 (0.41) CTSLCTSBCTSSCA2CA1
SCHEMBL4699626 0.86 FOLH1 (0.41) CTSLCTSBCTSSCA2CA1
SCHEMBL4704399 0.83 CTSL (0.64) CTSLCTSBCTSS
SCHEMBL4704297 0.74 ALDH1A1 (0.39) CTSLCTSBCTSSFPR2GRN
SCHEMBL7400542 0.74 CTSL (0.70) CTSLCTSBCTSSFPR2GRN
SCHEMBL4701848 0.72 MAPK8 (0.52) CTSLCTSBCTSSFPR2GRN
SCHEMBL4701850 0.72 MAPK8 (0.52) CTSLCTSBCTSSFPR2GRN
SCHEMBL2182959 0.69 ANPEP (0.59) CTSLCTSBCTSSFPR2MMP1
SCHEMBL4698809 0.68 FPR2 (0.68) FPR2ALDH1A1MMP1MMP2MMP3

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
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US disclosed
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US disclosed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP disclosed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSL 8/4885CTSB 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.