SCHEMBL5520718

SCHEMBL5520718

CC(C)C[C@H](OC(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MME P08473 1/20 0.40
APAF1 O14727 1/20 0.40
LTA4H P09960 1/20 0.40
ANPEP P15144 1/20 0.40
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
SRR Q9GZT4 1/20 0.39
MAPT P10636 1/20 0.39
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
MAPK1 P28482 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
SCHEMBL6170700 1.00 LMNA (0.43) LMNAALDH1A1MMEAPAF1LTA4H
SCHEMBL5512480 0.91 CHRM2 (0.43) LMNAALDH1A1MMELTA4HANPEP
SCHEMBL5512484 0.91 CHRM2 (0.43) LMNAALDH1A1MMELTA4HANPEP
SCHEMBL5510728 0.87 IDO1 (0.48) ALDH1A1
SCHEMBL6171510 0.87 IDO1 (0.48) ALDH1A1
SCHEMBL5510731 0.87 IDO1 (0.48) ALDH1A1
SCHEMBL5517080 0.86 ROCK1 (0.46) MAPK1
SCHEMBL5517074 0.86 ROCK1 (0.46) MAPK1
SCHEMBL692543 0.82 KLK7 (0.44) LMNACYP2D6SRCSRRMAPK1
SCHEMBL5526282 0.82 CTSL (0.46)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 US disclosed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 US disclosed
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 EP disclosed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 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-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK LMNA 1091/4885ALDH1A1 3954/4885MME 154/4885

“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.