SCHEMBL14943239

SCHEMBL14943239

CNC(CC1CC1)C(=O)C(=O)NC1CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 3/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
CAPN1 P07384 5/20 0.34
EPHX2 P34913 2/20 0.33
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CPB2 Q96IY4 1/20 0.31
MAPK1 P28482 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN5 P54829 1/20 0.31
PTPN11 Q06124 1/20 0.31
SMYD3 Q9H7B4 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
SCHEMBL16328152 1.00 KMT2A (0.39) KMT2ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL14943710 0.93 SMN1; SMN2 (0.37) KMT2ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL14943242 0.84 CTSK (0.36) CTSSCTSKGRNSORT1
SCHEMBL14943767 0.84 CTSK (0.36) CTSSCTSKGRNSORT1
SCHEMBL16328624 0.82 L3MBTL1 (0.39) KMT2ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL12401552 0.82 KMT2A (0.36) KMT2ASMN1; SMN2RAB9AGAAEPHX2
SCHEMBL12401551 0.82 KMT2A (0.36) KMT2ASMN1; SMN2RAB9AGAAEPHX2
SCHEMBL15368930 0.79 CTSK (0.36) CTSSCTSKGRNSORT1L3MBTL1
SCHEMBL14943770 0.79 CTSK (0.36) CTSSCTSKGRNSORT1L3MBTL1
SCHEMBL14943760 0.79 CAPN1 (0.46) SMN1; SMN2RAB9ANPC1MAPTGAA

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
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 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 KMT2A 3222/4885SMN1; SMN2 2265/4885RAB9A 2004/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 KMT2A 3222/4885SMN1; SMN2 2265/4885RAB9A 2004/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 KMT2A 3161/4885SMN1; SMN2 2646/4885RAB9A 3172/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 KMT2A 2779/4885SMN1; SMN2 2156/4885RAB9A 2014/4885

“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.