SCHEMBL4701848

SCHEMBL4701848

CC(C)CC(Nc1ncc(Br)cn1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.52
FPR2 P25090 1/20 0.47
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GRN P28799 3/20 0.42
SORT1 Q99523 3/20 0.42
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
NTSR1 P30989 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL4701850 1.00 MAPK8 (0.52) MAPK8FPR2MMP1MMP2MMP3
SCHEMBL4701355 0.85 NPR3 (0.47) MAPK8MEN1KMT2A
SCHEMBL4701871 0.82 CTSL (0.61) CTSLCTSBCTSS
SCHEMBL5940469 0.81 MAPK8 (0.48) MAPK8FPR2ALDH1A1GRNSORT1
SCHEMBL4698809 0.74 FPR2 (0.68) FPR2MMP1MMP2MMP3MMP7
SCHEMBL4703633 0.72 CTSL (0.41) MAPK8FPR2MMP1MMP2MMP3
SCHEMBL4703635 0.72 CTSL (0.41) MAPK8FPR2MMP1MMP2MMP3
SCHEMBL7400542 0.71 CTSL (0.70) MAPK8FPR2MMP1MMP2MMP3
SCHEMBL18150118 0.70 SYK (0.43) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL1257511 0.69 NPC1 (0.46) MAPK8ALDH1A1HTTMEN1LMNA

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 MAPK8 3945/4885FPR2 2914/4885MMP1 243/4885

“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.