SCHEMBL5117346

SCHEMBL5117346

C=CC[C@@](NC(=O)OCc1ccccc1)(C(=O)O)C(C)CC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CTSS P25774 5/20 0.43
SYK P43405 1/20 0.42
CTSL P07711 3/20 0.42
CTSB P07858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41
TGM2 P21980 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL14266053 1.00 CTSK (0.44) CTSKMEN1KMT2ACTSSSYK
SCHEMBL5115478 0.88 CTSS (0.44) CTSKMEN1KMT2ACTSSSYK
SCHEMBL14266062 0.87 CTSS (0.43) CTSKMEN1KMT2ACTSSSYK
SCHEMBL5115874 0.87 CTSS (0.43) CTSKMEN1KMT2ACTSSSYK
SCHEMBL8382063 0.79 MEN1 (0.50) CTSKMEN1KMT2ACTSSSYK
SCHEMBL24822539 0.78 CTSS (0.50) CTSKMEN1KMT2ACTSSSYK
SCHEMBL22469527 0.78 CTSS (0.50) MEN1KMT2ACTSSSYKCTSL
SCHEMBL22648546 0.78 CTSS (0.50) CTSKMEN1KMT2ACTSSSYK
SCHEMBL22636318 0.78 CTSS (0.50) CTSKMEN1KMT2ACTSSSYK
SCHEMBL22636320 0.78 CTSS (0.50) CTSKMEN1KMT2ACTSSSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338974-B2 Macrocyclic diaminopropanes as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-04 US disclosed
WO-2007021793-A1 MACROCYCLIC DIAMINOPROPANES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-22 WO disclosed
US-20070037868-A1 5-Benzyl-4-hydroxy-18-methoxy-8-(2-oxo-pyrrolidin-1-yl)-13-oxa-2,6-diaza-tricyclo[12.6.1.015,20]henicosa-10,15(20),16,18-tetraen-7-one; Alzheimer's Disease; Down's Syndrome BRISTOL-MYERS SQUIBB COMPANY 2007-02-15 US 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-20070037868-A1 5-Benzyl-4-hydroxy-18-methoxy-8-(2-oxo-pyrrolidin-1-yl)-13-oxa-2,6-diaza-tricyclo[12.6.1.015,20]henicosa-10,15(20),16,18-tetraen-7-one; Alzheimer's Disease; Down's Syndrome APP, BACE1, PSEN1 CTSK 2077/4885MEN1 2986/4885KMT2A 3539/4885

“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.