SCHEMBL4698365

SCHEMBL4698365

COc1ccc(COC(=O)[C@H](CC(C)C)Nc2nn(C(=O)OC(C)(C)C)cc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ALDH1A1 P00352 2/20 0.40
RET P07949 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALK Q9UM73 1/20 0.39
ABCB1 P08183 1/20 0.38
KDM1A O60341 1/20 0.38
HTT P42858 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL4698362 1.00 MAPT (0.48) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4703077 0.86 CTSS (0.50) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4703076 0.86 CTSS (0.50) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6231297 0.85 CTSS (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4699262 0.81 CTSS (0.60) MAPTCTSSCTSKALDH1A1RET
SCHEMBL4700428 0.80 ALDH1A1 (0.42) MAPTLMNAMEN1KMT2ACTSS
SCHEMBL4700431 0.80 ALDH1A1 (0.42) MAPTLMNAMEN1KMT2ACTSS
SCHEMBL6231296 0.77 CTSS (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6231300 0.77 CTSS (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4703398 0.73 CTSS (0.60) MAPTCTSSCTSKALDH1A1RET

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 MAPT 3191/4885SMN1; SMN2 4512/4885LMNA 2431/4885

“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.