SCHEMBL3377869

SCHEMBL3377869

N#Cc1cc(NS(=O)(=O)C2CC2)ccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.47
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CCR6 P51684 1/20 0.44
EGLN2 Q96KS0 1/20 0.42
XDH P47989 1/20 0.41
SCN9A Q15858 3/20 0.40
SCN5A Q14524 2/20 0.40
CYP17A1 P05093 1/20 0.40
KCNT1 Q5JUK3 1/20 0.40
KCNT2 Q6UVM3 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
RORC P51449 1/20 0.39
KDM1A O60341 1/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL5534289 0.83 KIF11 (0.68) KIF11XDHSLC22A12
SCHEMBL3378360 0.80 PGR (0.43) EGLN2SCN9ACYP17A1
SCHEMBL13365322 0.76 BRPF1 (0.42) EGLN2CYP17A1SLC22A12
SCHEMBL3380147 0.72 PGR (0.44) EGLN2CYP17A1
SCHEMBL23915974 0.69 KIF11 (0.52) KIF11CYP11B1CYP11B2XDHKDM1A
SCHEMBL3379334 0.67 KIF11 (0.46) KIF11CYP17A1KIT
SCHEMBL23968845 0.67 USP8 (0.47) KIF11CYP11B1CYP11B2XDHSCN9A
SCHEMBL23768092 0.66 XDH (0.51) XDHRORCKDM1A
SCHEMBL4668665 0.66 STS (0.68) KIF11XDH
SCHEMBL3898071 0.66 ALOX5AP (0.56) KIF11CYP11B1CYP11B2XDHKDM1A

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 KIF11 3561/4885CYP11B1 868/4885CYP11B2 842/4885

“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.