SCHEMBL2111465

SCHEMBL2111465

COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2CO)cc(-n2ccncc2=O)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP17A1 P05093 7/20 0.35
F10 P00742 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31

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
SCHEMBL2111467 1.00 CRBN (0.42) CRBNCYP3A4CYP17A1F10TP53
SCHEMBL2112194 0.92 CRBN (0.42) CRBNCYP3A4CYP17A1F10TP53
SCHEMBL2112193 0.92 CRBN (0.42) CRBNCYP3A4CYP17A1F10TP53
SCHEMBL12990815 0.88 CRBN (0.44) CRBNCYP3A4CYP17A1TP53KDM4E
SCHEMBL12991328 0.88 CRBN (0.44) CRBNCYP3A4CYP17A1TP53KDM4E
SCHEMBL2111470 0.87 CRBN (0.42) CRBNCYP3A4CYP17A1F10TP53
SCHEMBL2111469 0.87 CRBN (0.42) CRBNCYP3A4CYP17A1F10TP53
SCHEMBL1347182 0.87 CRBN (0.42) CRBNCYP3A4CYP17A1F10TP53
SCHEMBL1347184 0.87 CRBN (0.42) CRBNCYP3A4CYP17A1F10TP53
SCHEMBL2110072 0.87 CYP3A4 (0.54) CRBNCYP3A4CYP17A1F10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445875-A2 HETEROCYCLIC ANTIVIRAL COMPOUND F. Hoffmann-La Roche AG (CH) 2012-05-02 EP claimed
US-8158631-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 US claimed
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-12-30 US claimed
WO-2010149598-A2 HETEROCYCLIC ANTIVIRAL COMPOUND F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 WO claimed
EP-2445875-A2 HETEROCYCLIC ANTIVIRAL COMPOUND F. Hoffmann-La Roche AG (CH) 2012-05-02 EP disclosed
US-8158631-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 US disclosed
US-8158631-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 US disclosed
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-12-30 US disclosed
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-12-30 US disclosed
WO-2010149598-A2 HETEROCYCLIC ANTIVIRAL COMPOUND F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 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-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RTF2 CRBN 2969/4885CYP3A4 305/4885CYP17A1 2529/4885

“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.