SCHEMBL6549571

SCHEMBL6549571

CC(C)(C)OC(=O)N(C(N)=O)[C@@H](Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
GRM2 Q14416 1/20 0.40
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
CPA1 P15085 1/20 0.37
SLC7A5 Q01650 1/20 0.36
ACE P12821 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
KDM1A O60341 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPR3 P17342 1/20 0.35
RIPK1 Q13546 2/20 0.35

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
SCHEMBL7273450 0.90 SLC7A5 (0.43) CTSSCTSKSLC7A5ITGA4ITGB7
SCHEMBL6548736 0.90 ITGA4 (0.44) CTSSCTSKSLC7A5ACEITGA4
SCHEMBL7273304 0.86 ALOX5 (0.36) CTSSCTSKSLC7A5ITGA4ITGB7
SCHEMBL9259844 0.85 MAOB (0.39) CTSSCTSK
SCHEMBL6317701 0.84 CTSS (0.46) CTSSCTSKGRM2PPARGPPARA
SCHEMBL7248901 0.84 CTSS (0.46) CTSSCTSKGRM2PPARGPPARA
SCHEMBL1401163 0.84 CTSS (0.46) CTSSCTSKGRM2PPARGPPARA
SCHEMBL27589932 0.83 CTSS (0.45) CTSSCTSKGRM2PPARGPPARA
SCHEMBL15577663 0.82 CTSS (0.44) CTSSCTSKGRM2PPARGPPARA
SCHEMBL30884900 0.81 CTSS (0.43) CTSSCTSKGRM2PPARGPPARA

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 CTSS 422/4885CTSK 491/4885GRM2 3310/4885

“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.