SCHEMBL6550878

SCHEMBL6550878

CNC(=O)[C@H](CCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.74
CTSK P43235 6/20 0.74
CTSB P07858 2/20 0.56
CTSL P07711 1/20 0.56
MMP1 P03956 2/20 0.56
MMP3 P08254 1/20 0.56
MMP9 P14780 1/20 0.56
PPARA Q07869 2/20 0.55
PPARG P37231 1/20 0.55
SCN9A Q15858 1/20 0.53
MMP2 P08253 1/20 0.52
MMP12 P39900 1/20 0.52
MMP13 P45452 1/20 0.52
ACE P12821 1/20 0.51
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
AKT1 P31749 1/20 0.49
ATM Q13315 1/20 0.49
CA2 P00918 1/20 0.48
HDAC3 O15379 1/20 0.48

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
SCHEMBL13669553 1.00 CTSS (0.74) CTSSCTSKCTSBCTSLMMP1
SCHEMBL12890034 1.00 CTSS (0.74) CTSSCTSKCTSBCTSLMMP1
SCHEMBL7029483 0.93 CTSS (0.65) CTSSCTSKCTSBCTSLMMP1
SCHEMBL24814567 0.92 MMP3 (0.64) CTSSCTSKCTSBCTSLMMP1
SCHEMBL29178423 0.92 MMP3 (0.64) CTSSCTSKCTSBCTSLMMP1
SCHEMBL18661099 0.90 CTSS (0.74) CTSSCTSKCTSBCTSLMMP1
SCHEMBL4374188 0.90 CTSS (0.74) CTSSCTSKCTSBCTSLMMP1
SCHEMBL4365866 0.90 CTSS (0.74) CTSSCTSKCTSBCTSLMMP1
SCHEMBL1979807 0.88 CTSS (0.72) CTSSCTSKCTSBCTSLPPARA
SCHEMBL15989008 0.88 CTSS (0.72) CTSSCTSKCTSBCTSLMMP3

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 7 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-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US 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
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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 (2 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH CTSS 625/4885CTSK 1877/4885CTSB 1387/4885
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 491/4885CTSB 598/4885

“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.