SCHEMBL2489282

SCHEMBL2489282

COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2cnc(Cl)[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.68
CRBN Q96SW2 1/20 0.39
TRPV1 Q8NER1 3/20 0.33
PIP4K2A P48426 3/20 0.33
PIP4K2B P78356 3/20 0.33
FYN P06241 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
MET P08581 2/20 0.33
BRD4 O60885 1/20 0.32
SGK1 O00141 1/20 0.31
PADI4 Q9UM07 1/20 0.31
GSK3B P49841 1/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.31
ERBB2 P04626 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
SCHEMBL2489284 1.00 CYP3A4 (0.68) CYP3A4CRBNTRPV1PIP4K2APIP4K2B
SCHEMBL2488740 0.91 CYP3A4 (0.71) CYP3A4CRBNTRPV1PIP4K2APIP4K2B
SCHEMBL2488735 0.91 CYP3A4 (0.71) CYP3A4CRBNTRPV1PIP4K2APIP4K2B
SCHEMBL2491420 0.91 CYP3A4 (0.69) CYP3A4CRBNTRPV1PIP4K2APIP4K2B
SCHEMBL2491418 0.91 CYP3A4 (0.69) CYP3A4CRBNTRPV1PIP4K2APIP4K2B
SCHEMBL2492612 0.88 CYP3A4 (0.66) CYP3A4CRBNTRPV1PIP4K2APIP4K2B
SCHEMBL2492614 0.88 CYP3A4 (0.66) CYP3A4CRBNTRPV1PIP4K2APIP4K2B
SCHEMBL6832700 0.86 CYP3A4 (0.48) CYP3A4FYNERBB2
SCHEMBL2745315 0.84 CYP3A4 (0.75) CYP3A4CRBNTRPV1PIP4K2APIP4K2B
SCHEMBL2745317 0.84 CYP3A4 (0.75) CYP3A4CRBNTRPV1PIP4K2APIP4K2B

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
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US claimed
EP-2379534-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-10-26 EP claimed
WO-2010072598-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO claimed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US claimed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
EP-2379534-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
WO-2010072598-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 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 (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-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 CYP3A4 978/4885CRBN 1341/4885TRPV1 4760/4885

“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.