SCHEMBL13337359

SCHEMBL13337359

N#Cc1cc(Br)ccc1NS(=O)(=O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CKS1B P61024 3/20 0.34
SKP2 Q13309 3/20 0.34
JAK2 O60674 1/20 0.34
BRD4 O60885 1/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
CTSC P53634 1/20 0.34
WDR5 P61964 2/20 0.33
ACLY P53396 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 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
SCHEMBL2422717 0.78 KIF11 (0.56) KIF11SLC22A12WDR5
SCHEMBL15952587 0.78 SLC22A12 (0.48) SLC22A12PTGS1PTGS2CKS1BSKP2
SCHEMBL13365322 0.73 BRPF1 (0.42) TDP1EGLN2SLC22A12BRD4
SCHEMBL21384564 0.73 METAP2 (0.56) TDP1WDR5ACLYALDH1A1TSPO
SCHEMBL3375824 0.73 ACLY (0.45) KIF11EGLN2SLC22A12PTGS1PTGS2
SCHEMBL3374830 0.72 KIF11 (0.42) KIF11EGLN2ACLYMRGPRX1
SCHEMBL23014657 0.72 PGAM1 (0.46) SLC22A12PTGS1PTGS2BRD4ACLY
SCHEMBL5842350 0.71 EGLN2 (0.38) KIF11EGLN2SLC22A12PTGS1PTGS2
SCHEMBL29489059 0.71 BRAF (0.40) EGLN2PTGS1PTGS2CKS1BSKP2
SCHEMBL18340326 0.71 JAK2 (0.40) JAK2

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 disclosed
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
WO-2010056527-A2 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 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 3561/4885TDP1 4140/4885EGLN2 2918/4885

“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.