SCHEMBL12401256

SCHEMBL12401256

CC(C)(C)C(=O)C(NC(=O)OC1CCOCC1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.34
CNR1 P21554 2/20 0.34
MAPK1 P28482 3/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KAT2B Q92831 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
EPHX1 P07099 1/20 0.31
MAP4K1 Q92918 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
PTGER1 P34995 1/20 0.30
PDE4D Q08499 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL12401299 0.92 CTSL (0.36) CNR2CNR1MAPK1CTSLCTSS
SCHEMBL12401420 0.89 EPHX1 (0.35) SMN1; SMN2NPC1HTTRAB9AEPHX1
SCHEMBL14943226 0.87 CTSL (0.34) CNR2CNR1MAPK1CTSLCTSS
SCHEMBL12401411 0.86 EPHX1 (0.40) SMN1; SMN2NPC1HTTRAB9AEPHX1
SCHEMBL12401415 0.86 EPHX1 (0.44) SMN1; SMN2NPC1HTTRAB9AEPHX1
SCHEMBL8243464 0.86 EPHX1 (0.44) SMN1; SMN2NPC1HTTRAB9AEPHX1
SCHEMBL15338740 0.85 CTSL (0.34) CNR2CNR1MAPK1CTSLCTSS
SCHEMBL12401407 0.85 EPHX1 (0.46) SMN1; SMN2NPC1HTTRAB9AEPHX1
SCHEMBL12401422 0.85 EPHX1 (0.46) SMN1; SMN2NPC1HTTRAB9AEPHX1
SCHEMBL14441686 0.85 EPHX1 (0.46) SMN1; SMN2NPC1HTTRAB9AEPHX1

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 CNR2 4832/4885CNR1 4337/4885MAPK1 971/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CNR2 4832/4885CNR1 4337/4885MAPK1 971/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 CNR2 4186/4885CNR1 3344/4885MAPK1 3301/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CNR2 4814/4885CNR1 4349/4885MAPK1 1199/4885

“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.