SCHEMBL8244248

SCHEMBL8244248

C=C1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.39
UCHL1 P09936 2/20 0.39
NR1H2 P55055 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR1H3 Q13133 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PTPN1 P18031 1/20 0.36
ESR2 Q92731 1/20 0.36
USP2 O75604 1/20 0.36
SCN4A P35499 1/20 0.35
EPHX2 P34913 1/20 0.35
USP30 Q70CQ3 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL26981387 0.91 NR1H2 (0.45) HSD17B10NPC1UCHL1NR1H2LMNA
SCHEMBL18084466 0.91 NR1H2 (0.45) HSD17B10NPC1UCHL1NR1H2LMNA
SCHEMBL31482666 0.91 NR1H2 (0.45) HSD17B10NPC1UCHL1NR1H2LMNA
SCHEMBL16824577 0.88 HSD17B10 (0.47) HSD17B10NPC1UCHL1NR1H2LMNA
SCHEMBL16824578 0.88 HSD17B10 (0.47) HSD17B10NPC1UCHL1NR1H2LMNA
SCHEMBL28152142 0.88 HSD17B10 (0.47) HSD17B10NPC1UCHL1NR1H2LMNA
SCHEMBL19390030 0.88 NPC1 (0.41) HSD17B10NPC1UCHL1NR1H2LMNA
SCHEMBL5764003 0.87 MEN1 (0.43) HSD17B10NPC1UCHL1NR1H2LMNA
SCHEMBL23864595 0.86 NPC1 (0.41) HSD17B10NPC1UCHL1NR1H2LMNA
SCHEMBL2009986 0.86 PTPN1 (0.42) HSD17B10NPC1NR1H2LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 EP disclosed
EP-2364984-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 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-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-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-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 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 (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 HSD17B10 690/4885NPC1 252/4885UCHL1 1471/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 HSD17B10 690/4885NPC1 252/4885UCHL1 1471/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 HSD17B10 486/4885NPC1 211/4885UCHL1 1576/4885

“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.