SCHEMBL12401316

SCHEMBL12401316

Cc1ccc(COC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
TGM2 P21980 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MAPT P10636 3/20 0.41
OPRK1 P41145 2/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
TPSAB1 Q15661 2/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
SYK P43405 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL12401177 0.88 KMT2A (0.55) TGM2MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL12404561 0.87 SYK (0.52) SMN1; SMN2OPRK1CTSKCTSLSYK
SCHEMBL14943746 0.87 NAAA (0.44) NAAATGM2MAPTOPRK1CTSK
SCHEMBL15338647 0.86 NAAA (0.43) NAAATGM2TRPV1MAPTOPRK1
SCHEMBL12467352 0.85 TGM2 (0.42) NAAATGM2MAPTCTSKCTSL
SCHEMBL12330591 0.85 CTSK (0.43) NAAATGM2MAPTCTSKCTSL
SCHEMBL12401149 0.85 POLB (0.48) TRPV1CTSKCTSLSYKATM
SCHEMBL12404589 0.80 MEN1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL12401144 0.78 GRM5 (0.49) MAPTOPRK1CTSKMMP1MMP2
SCHEMBL12331442 0.78 CYP3A4 (0.53) MEN1KMT2AMAPTCTSLALDH1A1

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 9 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-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 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-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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 (4 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 NAAA 825/4885TGM2 1773/4885MEN1 2930/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 NAAA 825/4885TGM2 1773/4885MEN1 2930/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 NAAA 900/4885TGM2 1780/4885MEN1 4026/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 NAAA 1114/4885TGM2 1846/4885MEN1 3395/4885

“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.