SCHEMBL352415

SCHEMBL352415

CC(C)(C)OC(=O)N1C(=O)CC(C(C)(C)C)C1C(C)(C)O[SiH2]C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
BUB1 O43683 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
KLK7 P49862 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
SCHEMBL688660 0.86 RIPK1 (0.32)
SCHEMBL353105 0.78 KLK7 (0.44) KLK7
SCHEMBL211420 0.75 CHRM2 (0.36) CHRM2CHRM1CHRM3KDM4EMAPT
SCHEMBL190829 0.72 NFKB1 (0.31) KLK7
SCHEMBL15519210 0.69 RIPK1 (0.38) KDM4EKLK7
SCHEMBL3385088 0.69 CHRM2 (0.42) CHRM2CHRM1CHRM3BUB1KDM4E
SCHEMBL8972522 0.68 CHRM2 (0.35) CHRM2CHRM1CHRM3KDM4EMAPT
SCHEMBL483259 0.67 CHRM2 (0.43) CHRM2CHRM1CHRM3KDM4EMAPT
SCHEMBL20406585 0.67 CHRM2 (0.43) CHRM2CHRM1CHRM3KDM4EMAPT
SCHEMBL585012 0.66 KDM4E (0.34) KDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618152-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-31 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-20050090450-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS, INCORPORATED 2005-04-28 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 (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-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES PRSS1, SERPINB1, SPINT2 CHRM2 4876/4885CHRM1 4854/4885CHRM3 4843/4885
US-20050090450-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 CHRM2 4874/4885CHRM1 4848/4885CHRM3 4843/4885
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 CHRM2 4872/4885CHRM1 4846/4885CHRM3 4838/4885

“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.