SCHEMBL6548736

SCHEMBL6548736

CC(C)(C)OC(=O)N(C(N)=O)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
SLC7A5 Q01650 2/20 0.42
ATM Q13315 1/20 0.41
ACE P12821 1/20 0.41
SRR Q9GZT4 2/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
APP P05067 1/20 0.39
EPHX1 P07099 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 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
SCHEMBL9321962 0.92 ATM (0.45) ITGA4ITGB7SLC7A5ATMACE
SCHEMBL11651226 0.92 ATM (0.45) ITGA4ITGB7SLC7A5ATMACE
SCHEMBL8392929 0.92 ATM (0.45) ITGA4ITGB7SLC7A5ATMACE
SCHEMBL7273450 0.90 SLC7A5 (0.43) ITGA4ITGB7SLC7A5CTSSCTSK
SCHEMBL6549571 0.90 CTSS (0.44) ITGA4ITGB7SLC7A5ACECTSS
SCHEMBL28958862 0.89 ATM (0.43) ITGA4ITGB7SLC7A5ATMACE
SCHEMBL6550882 0.88 CTSK (0.43) ITGA4ITGB7SLC7A5CTSSCTSK
SCHEMBL7273304 0.86 ALOX5 (0.36) ITGA4ITGB7SLC7A5PTGS1CTSS
SCHEMBL11047397 0.86 SLC7A5 (0.48) ITGA4ITGB7SLC7A5ATMACE
SCHEMBL9259844 0.85 MAOB (0.39) CTSSCTSLCTSBCTSK

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 ITGA4 3570/4885ITGB7 3828/4885SLC7A5 512/4885

“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.