SCHEMBL3244247

SCHEMBL3244247

CC(C)(C)c1cc(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2ncc[nH]c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
TRPV1 Q8NER1 2/20 0.38
IKBKB O14920 2/20 0.37
CHUK O15111 2/20 0.37
PIP4K2A P48426 3/20 0.36
PIP4K2B P78356 2/20 0.36
KIT P10721 2/20 0.34
PADI4 Q9UM07 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR3C2 P08235 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL3244250 1.00 CYP3A4 (0.49) CYP3A4TRPV1IKBKBCHUKPIP4K2A
SCHEMBL6832450 0.84 CYP19A1 (0.34) CYP3A4TRPV1MEN1KMT2A
SCHEMBL2489135 0.83 CYP3A4 (0.49) CYP3A4TRPV1IKBKBCHUK
SCHEMBL2489133 0.83 CYP3A4 (0.49) CYP3A4TRPV1IKBKBCHUK
SCHEMBL1543239 0.82 CYP3A4 (0.68) CYP3A4TRPV1IKBKBCHUKPIP4K2A
SCHEMBL1543237 0.82 CYP3A4 (0.68) CYP3A4TRPV1IKBKBCHUKPIP4K2A
SCHEMBL2491324 0.81 CYP3A4 (0.72) CYP3A4TRPV1IKBKBCHUKPIP4K2A
SCHEMBL2491321 0.81 CYP3A4 (0.72) CYP3A4TRPV1IKBKBCHUKPIP4K2A
SCHEMBL1348089 0.79 CYP3A4 (0.48) CYP3A4TRPV1IKBKBCHUKPIP4K2A
SCHEMBL1348091 0.79 CYP3A4 (0.48) CYP3A4TRPV1IKBKBCHUKPIP4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 978/4885TRPV1 4760/4885IKBKB 868/4885

“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.