SCHEMBL1360417

SCHEMBL1360417

CC(C)(C)c1cc(-c2ccc[nH]c2=O)cc2c(C(=O)N3CCOC(CNS(C)(=O)=O)C3)csc12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
EIF2AK4 Q9P2K8 3/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
JAK1 P23458 2/20 0.31
KRAS P01116 3/20 0.30
MITF O75030 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
SCHEMBL1359329 0.86 CYP3A4 (0.36) CYP3A4ALOX5APFEN1
SCHEMBL1358134 0.86 ALDH1A1 (0.38) CYP3A4
SCHEMBL1348967 0.82 ALDH1A1 (0.35) CYP3A4EIF2AK4
SCHEMBL1360375 0.82 CYP3A4 (0.39) CYP3A4
SCHEMBL12137040 0.81 RORC (0.37) EIF2AK4ALOX5APFEN1KRAS
SCHEMBL1359499 0.75 CYP3A4 (0.37) CYP3A4
SCHEMBL1358011 0.75 CYP3A4 (0.37) CYP3A4
SCHEMBL1359458 0.75 ALOX5AP (0.41) CYP3A4ALOX5APFEN1JAK1
SCHEMBL1972033 0.74 CYP3A4 (0.39) CYP3A4
SCHEMBL1358409 0.74 ALDH1A1 (0.36) CYP3A4

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-8067442-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-29 US disclosed
US-8067442-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-29 US disclosed
US-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-04-01 US disclosed
US-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-04-01 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 (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-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, POLR2A, HCCS CYP3A4 713/4885EIF2AK4 695/4885ALOX5AP 3018/4885

“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.