SCHEMBL2979044

SCHEMBL2979044

C=C[C@@H]1C[C@]1(NC(=O)C1CN(C(=O)OC(C)(C)C)Cc2c[nH]nc21)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
NAMPT P43490 8/20 0.33
DDB1 Q16531 3/20 0.31
CRBN Q96SW2 3/20 0.31
USP30 Q70CQ3 2/20 0.31
MAPK1 P28482 1/20 0.31
HDAC1 Q13547 1/20 0.31
EPHX2 P34913 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
SCHEMBL2982987 0.89 NAMPT (0.33) NR1H2NAMPT
SCHEMBL2982986 0.89 NAMPT (0.33) NR1H2NAMPT
SCHEMBL13221579 0.87 NR1H2 (0.36) NR1H2NAMPTDDB1CRBNUSP30
SCHEMBL2977167 0.86 CYP3A4 (0.41)
SCHEMBL2977165 0.86 CYP3A4 (0.41)
SCHEMBL2970151 0.78 NR1H2 (0.41) NR1H2NAMPTDDB1CRBNMAPK1
SCHEMBL8220942 0.78 NAMPT (0.34) NR1H2NAMPTDDB1CRBNMAPK1
SCHEMBL13221484 0.75 SCN9A (0.36) NR1H2NAMPTDDB1CRBN
SCHEMBL8214051 0.75 NR1H2 (0.40) NR1H2NAMPTDDB1CRBNMAPK1
SCHEMBL8213557 0.75 NAMPT (0.35) NR1H2NAMPTDDB1CRBNMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781474-B2 Inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-08-24 US disclosed
US-7781474-B2 Inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-08-24 US disclosed
US-20100209391-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-08-19 US disclosed
US-20100209391-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-08-19 US disclosed
US-20080019942-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC (US) 2008-01-24 US disclosed
US-20080019942-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC (US) 2008-01-24 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 (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-20100209391-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HDGF NR1H2 323/4885NAMPT 1834/4885DDB1 715/4885
US-20080019942-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, GTF3C3 NR1H2 469/4885NAMPT 2134/4885DDB1 887/4885

“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.