SCHEMBL3301531

SCHEMBL3301531

CC(C)NC(=O)C(S)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.46
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
MMP1 P03956 1/20 0.44
PTGES O14684 1/20 0.43
CTSK P43235 2/20 0.43
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
MME P08473 2/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL12848459 0.84 PSMB5 (0.48) PSMB5MMP9MMP8PTGESCTSK
SCHEMBL19974776 0.80 MMP9 (0.50) PSMB5MMP9MMP8MMP1PTGES
SCHEMBL21183559 0.75 MMP9 (0.47) PSMB5MMP9MMP8PTGESSLC1A3
SCHEMBL204704 0.75 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL11515552 0.74 CTSK (0.63) CTSKMEN1CYP1A2KMT2A
SCHEMBL22753446 0.74 CTSK (0.63) CTSKMEN1CYP1A2KMT2A
SCHEMBL10612913 0.74 CTSK (0.63) CTSKMEN1CYP1A2KMT2A
SCHEMBL4769827 0.73 MMP9 (0.48) PSMB5MMP9MMP8CTSKSLC1A3
SCHEMBL308291 0.73 ATM (0.64) CTSKALDH1A1
SCHEMBL11514747 0.73 CTSK (0.62) CTSKMEN1CYP1A2KMT2A

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
US-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-04-22 US disclosed
EP-2129667-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2009-12-09 EP disclosed
WO-2008103574-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-08-28 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-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS PPARA, PPARG, PPARD PSMB5 2978/4885MMP9 4625/4885MMP8 4523/4885

“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.