SCHEMBL3378377

SCHEMBL3378377

Cc1cc(NS(=O)(=O)C2CC2)ccc1-c1ccc(-c2nn[nH]n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 2/20 0.47
JAK1 P23458 2/20 0.44
XDH P47989 1/20 0.42
PFKFB3 Q16875 3/20 0.42
SGK1 O00141 1/20 0.42
EDNRA P25101 1/20 0.41
PFKFB4 Q16877 1/20 0.41
CYP17A1 P05093 1/20 0.41

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
SCHEMBL3380147 0.75 PGR (0.44) JAK1CYP17A1
SCHEMBL20297930 0.74
SCHEMBL3374290 0.74 ACACB (0.45) JAK1SGK1CYP17A1
SCHEMBL18343788 0.70
SCHEMBL527428 0.69 CYP17A1 (0.67) JAK1CYP17A1
SCHEMBL18343803 0.69
SCHEMBL3374824 0.67 KDM1A (0.47) XDHPFKFB3PFKFB4
SCHEMBL30009322 0.67 JAK1 (0.63) JAK1CYP17A1
SCHEMBL527268 0.66 PRMT6 (0.58) SGK1CYP17A1
SCHEMBL17629961 0.64 ADH5 (1.00) ADH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US claimed
WO-2010056527-A2 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO claimed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNH2 ADH5 3025/4885JAK1 4196/4885XDH 1913/4885

“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.