SCHEMBL6550882

SCHEMBL6550882

CC(C)(C)OC(=O)N(C(N)=O)[C@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
CTSS P25774 1/20 0.43
GRIK1 P39086 1/20 0.41
PRSS1 P07477 2/20 0.41
CTSG P08311 2/20 0.41
CTRB1 P17538 2/20 0.41
CMA1 P23946 2/20 0.41
TPSAB1 Q15661 2/20 0.40
TPSD1 Q9BZJ3 2/20 0.40
TPSG1 Q9NRR2 2/20 0.40
SLC7A5 Q01650 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.37

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
SCHEMBL6548736 0.88 ITGA4 (0.44) CTSKCTSSSLC7A5L3MBTL1ITGA4
SCHEMBL7729230 0.82 MMP13 (0.46) CTSKCTSSGRIK1PRSS1CTSG
SCHEMBL23012930 0.82 MMP13 (0.46) CTSKCTSSGRIK1PRSS1CTSG
SCHEMBL7729226 0.82 MMP13 (0.46) CTSKCTSSGRIK1PRSS1CTSG
SCHEMBL29013213 0.81 CTSK (0.42) CTSKCTSSGRIK1PRSS1CTSG
SCHEMBL7661910 0.80 MMP13 (0.44) CTSKCTSSGRIK1PRSS1CTSG
SCHEMBL8392929 0.79 ATM (0.45) CTSKCTSSTPSAB1TPSD1TPSG1
SCHEMBL11651226 0.79 ATM (0.45) CTSKCTSSTPSAB1TPSD1TPSG1
SCHEMBL9321962 0.79 ATM (0.45) CTSKCTSSTPSAB1TPSD1TPSG1
SCHEMBL7273450 0.78 SLC7A5 (0.43) CTSKCTSSSLC7A5ITGA4ITGB7

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
EP-1480946-A2 A HYDROXAMIC ACID THROMBOSPONDIN PEPTIDE ANALOG THAT INHIBITS AGGRECANASE ACTIVITY MP Biomedicals, L.L.C. (US) 2004-12-01 EP disclosed
US-20030114529-A1 HO-NH-(C=O)-CH2-CH(-CH2-CH(CH3)2)-(C=O)-V-,V=valine or another amino acid connected with an amino acid sequence of 10 or more amino acids; useful for treating diseases caused by cartilage degradation MP BIOMEDICALS, LLC 2003-06-19 US disclosed
WO-2003005956-A2 A HYDROXAMIC ACID THROMBOSPONDIN PEPTIDE ANALOG THAT INHIBITS AGGRECANASE ACTIVITY ENZYME SYSTEMS PRODUCTS, INC. /(ICN - BIOMEDICALS) (US) 2003-01-23 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-20030114529-A1 HO-NH-(C=O)-CH2-CH(-CH2-CH(CH3)2)-(C=O)-V-,V=valine or another amino acid connected with an amino acid sequence of 10 or more amino acids; useful for treating diseases caused by cartilage degradation HGFAC, ASPH, SYVN1 CTSK 491/4885CTSS 422/4885GRIK1 3816/4885

“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.