SCHEMBL8301934

SCHEMBL8301934

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
EPHX1 P07099 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PTPN1 P18031 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PREP P48147 1/20 0.32
HPGD P15428 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL21366880 1.00 SMN1; SMN2 (0.34) SMN1; SMN2HSD17B10ELANECTSGEPHX1
SCHEMBL22968674 1.00 SMN1; SMN2 (0.34) SMN1; SMN2HSD17B10ELANECTSGEPHX1
SCHEMBL6534023 0.87 HSD17B10 (0.40) SMN1; SMN2HSD17B10ELANECTSGPREP
SCHEMBL6534024 0.87 HSD17B10 (0.40) SMN1; SMN2HSD17B10ELANECTSGPREP
SCHEMBL6534027 0.87 HSD17B10 (0.40) SMN1; SMN2HSD17B10ELANECTSGPREP
SCHEMBL8349248 0.84 SMN1; SMN2 (0.37) SMN1; SMN2HSD17B10EPHX1NR1H2NR1H3
SCHEMBL8441504 0.84 SMN1; SMN2 (0.37) SMN1; SMN2HSD17B10EPHX1NR1H2NR1H3
SCHEMBL30591353 0.84 SMN1; SMN2 (0.37) SMN1; SMN2HSD17B10EPHX1NR1H2NR1H3
SCHEMBL8349246 0.84 SMN1; SMN2 (0.37) SMN1; SMN2HSD17B10EPHX1NR1H2NR1H3
SCHEMBL8304379 0.83 EPHX1 (0.35) SMN1; SMN2HSD17B10EPHX1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-19 US disclosed
US-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-19 US disclosed
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-01-22 US disclosed
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-01-22 US disclosed
WO-2004092162-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS, INCORPORATED (US) 2004-10-28 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-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES PRSS1, SERPINB1, SPINT2 SMN1; SMN2 1405/4885HSD17B10 1534/4885ELANE 48/4885
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 SMN1; SMN2 1362/4885HSD17B10 1394/4885ELANE 47/4885

“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.