SCHEMBL4704408

SCHEMBL4704408

Cc1onc(N[C@@H](CC(C)C)C(=O)O)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 4/20 0.39
FPR2 P25090 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LAP3 P28838 1/20 0.35

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
SCHEMBL4704404 1.00 KDM4E (0.46) KDM4ETDP1MAPTHTTEPHX2
SCHEMBL4701318 0.86 KDM4E (0.41) KDM4ETDP1EPHX2FOLH1
SCHEMBL4701323 0.86 KDM4E (0.41) KDM4ETDP1EPHX2FOLH1
SCHEMBL6210214 0.83 CTSL (0.55)
SCHEMBL4705355 0.83 CTSL (0.55)
SCHEMBL4704297 0.69 ALDH1A1 (0.39) MAPTHTTALDH1A1FPR2MEN1
SCHEMBL4699978 0.68 GRN (0.47) MAPTHTTALDH1A1FPR2MEN1
SCHEMBL4699981 0.68 GRN (0.47) MAPTHTTALDH1A1FPR2MEN1
SCHEMBL7064208 0.67 ALDH1A1 (0.48) KDM4EALDH1A1MEN1KMT2AMMP1
SCHEMBL4701850 0.66 MAPK8 (0.52) MAPTHTTALDH1A1FPR2MEN1

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 KDM4E 2274/4885TDP1 4509/4885MAPT 3191/4885

“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.