SCHEMBL12467352

SCHEMBL12467352

CCC(=O)C(NC(=O)OCc1ccc(C)cc1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.42
NAAA Q02083 1/20 0.42
SYK P43405 1/20 0.42
CTSL P07711 4/20 0.40
CTSK P43235 3/20 0.40
TPSAB1 Q15661 2/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
ATM Q13315 1/20 0.39
MBOAT4 Q96T53 1/20 0.39
CTSB P07858 3/20 0.39
CTSS P25774 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL12505557 0.88 KMT2A (0.51) TGM2SYKTPSAB1PLGPRSS1
SCHEMBL12330381 0.88 SYK (0.54) SYKCTSLCTSKATMCTSB
SCHEMBL14943746 0.86 NAAA (0.44) TGM2NAAASYKCTSLCTSK
SCHEMBL12467366 0.85 NAMPT (0.46) SYKCTSLCTSKATMCTSB
SCHEMBL15338647 0.85 NAAA (0.43) TGM2NAAASYKCTSLCTSK
SCHEMBL12401316 0.85 NAAA (0.43) TGM2NAAASYKCTSLCTSK
SCHEMBL12330591 0.84 CTSK (0.43) TGM2NAAACTSLCTSKTPSAB1
SCHEMBL12482931 0.80 MEN1 (0.40) SYKCTSLCTSKMMP1MMP2
SCHEMBL15368941 0.79 L3MBTL1 (0.41) SYKATMMAPT
SCHEMBL12467248 0.78 NPC1 (0.51) CTSKMMP1MMP2MMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US 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 (3 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 TGM2 1773/4885NAAA 825/4885SYK 3721/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 TGM2 1773/4885NAAA 825/4885SYK 3721/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 TGM2 1780/4885NAAA 900/4885SYK 4027/4885

“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.