SCHEMBL2738416

SCHEMBL2738416

CC(C)(C)OC(=O)N1CC2CC=CCC2[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.36
HSD17B10 Q99714 1/20 0.36
NR1H2 P55055 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
FABP4 P15090 4/20 0.33
HSD11B1 P28845 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
USP30 Q70CQ3 1/20 0.31
FABP3 P05413 1/20 0.31

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
SCHEMBL4301733 0.86 NR1H2 (0.36) PREPNR1H2GPR119HSD11B1CHRM2
SCHEMBL4300631 0.82 NR1H2 (0.37) PREPHSD17B10NR1H2GPR119HSD11B1
SCHEMBL2214614 0.82 NR1H2 (0.42) PREPHSD17B10NR1H2GPR119HSD11B1
SCHEMBL21530145 0.82 NR1H2 (0.42) PREPHSD17B10NR1H2GPR119HSD11B1
SCHEMBL384513 0.82 NR1H2 (0.42) PREPHSD17B10NR1H2GPR119HSD11B1
SCHEMBL23668781 0.82 NR1H2 (0.42) PREPHSD17B10NR1H2GPR119HSD11B1
SCHEMBL18018350 0.82 NR1H2 (0.42) PREPHSD17B10NR1H2GPR119HSD11B1
SCHEMBL15213647 0.82 NR1H2 (0.42) PREPHSD17B10NR1H2GPR119HSD11B1
SCHEMBL24113163 0.82 NR1H2 (0.42) PREPHSD17B10NR1H2GPR119HSD11B1
SCHEMBL905312 0.82 NR1H2 (0.42) PREPHSD17B10NR1H2GPR119HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-09 US disclosed
US-8486989-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-16 US disclosed
EP-2402009-A1 Inhibitors of serine protease, particularly hepatitis c virus NS3-NS4A protease, incorporating a fused ring system VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-04 EP disclosed
EP-1441720-B1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM VERTEX PHARMA (US) 2012-01-04 EP disclosed
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-7241796-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INC. (US) 2007-07-10 US disclosed
WO-2003035060-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-05-01 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 (2 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-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 PREP 5/4885HSD17B10 1749/4885NR1H2 2482/4885
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 PREP 5/4885HSD17B10 1749/4885NR1H2 2482/4885

“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.