SCHEMBL6549566

SCHEMBL6549566

CNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.72
CTSK P43235 9/20 0.72
CTSB P07858 2/20 0.56
CTSL P07711 1/20 0.56
HDAC8 Q9BY41 1/20 0.52
SCN9A Q15858 3/20 0.52
AKT1 P31749 1/20 0.49
MMP1 P03956 1/20 0.48
MMP3 P08254 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
SCHEMBL13211222 0.88 CTSS (0.71) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL5188769 0.88 CTSS (0.72) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL5188418 0.88 CTSS (0.72) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL7273440 0.88 CTSS (0.72) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL8268491 0.87 CTSS (0.57) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL479234 0.86 CTSS (0.72) CTSSCTSKCTSBCTSL
SCHEMBL6163823 0.86 CTSS (0.73) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL479232 0.86 CTSS (0.72) CTSSCTSKCTSBCTSL
SCHEMBL2109180 0.86 CTSS (0.72) CTSSCTSKCTSBCTSL
SCHEMBL6163323 0.86 CTSS (0.73) CTSSCTSKCTSBCTSLHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059175-A1 Mutant Pi3k-Alpha Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED 2025-02-20 US disclosed
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 (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-20250059175-A1 Mutant Pi3k-Alpha Inhibitors And Their Use As Pharmaceuticals PIK3CA, PIK3CD, PIK3R5 CTSS 2804/4885CTSK 2347/4885CTSB 2501/4885
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.