SCHEMBL8300226

SCHEMBL8300226

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 1/20 0.40
UCHL1 P09936 2/20 0.39
SCN4A P35499 1/20 0.39
USP30 Q70CQ3 1/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL12558063 1.00 NPC1 (0.45) NPC1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL8276961 0.90 KMT2A (0.48) NPC1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL8221989 0.90 KMT2A (0.48) NPC1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL1646270 0.90 KMT2A (0.48) NPC1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL8244195 0.90 KMT2A (0.48) NPC1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL1683094 0.90 KMT2A (0.48) NPC1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL13787351 0.90 KMT2A (0.48) NPC1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL15672689 0.83 SMN1; SMN2 (0.41) NPC1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL4793431 0.83
SCHEMBL12820010 0.83

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
WO-2011150190-A2 HCV INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
US-7939667-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 US disclosed
EP-1654261-B1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2007-11-14 EP disclosed
US-20070243166-A1 Hepatitis C Inhibitor Compounds LLINAS-BRUNET MONTSE 2007-10-18 US disclosed
WO-2004103996-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 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 (1 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-20070243166-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC NPC1 150/4885SMN1; SMN2 4624/4885LMNA 816/4885

“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.