SCHEMBL3240246

SCHEMBL3240246

COc1c(C=Cc2ccc(NS(C)(=O)=O)cc2)cc(-c2cc(C)n[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.70
CRBN Q96SW2 1/20 0.38
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TNIK Q9UKE5 1/20 0.32
CYP17A1 P05093 1/20 0.32
PDE4B Q07343 1/20 0.32
ERBB2 P04626 1/20 0.31
BRD4 O60885 2/20 0.31
CDC7 O00311 1/20 0.31
PLK4 O00444 1/20 0.31
DAPK3 O43293 1/20 0.31
DYRK3 O43781 1/20 0.31
JAK2 O60674 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
CDK1 P06493 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
SCHEMBL3240242 1.00 CYP3A4 (0.70) CYP3A4CRBNTRPV1KDM4EALDH1A1
SCHEMBL2489645 0.89 CYP3A4 (0.73) CYP3A4CRBNTRPV1CYP17A1ERBB2
SCHEMBL2489644 0.89 CYP3A4 (0.73) CYP3A4CRBNTRPV1CYP17A1ERBB2
SCHEMBL6832654 0.85 CYP3A4 (0.49) CYP3A4PDE4BERBB2TNFRSF1A
SCHEMBL2127562 0.85 CYP3A4 (0.76) CYP3A4CRBNTRPV1TNFRSF1APADI4
SCHEMBL1542924 0.85 CYP3A4 (0.76) CYP3A4CRBNTRPV1TNFRSF1APADI4
SCHEMBL2127702 0.84 CYP3A4 (0.75) CYP3A4CRBNTRPV1CYP17A1BRD4
SCHEMBL482574 0.84 CYP3A4 (0.75) CYP3A4CRBNTRPV1ALDH1A1TNFRSF1A
SCHEMBL2127697 0.84 CYP3A4 (0.75) CYP3A4CRBNTRPV1CYP17A1BRD4
SCHEMBL482573 0.84 CYP3A4 (0.75) CYP3A4CRBNTRPV1ALDH1A1TNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US claimed

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.