SCHEMBL3376228

SCHEMBL3376228

COc1ccc(-c2ccc(NS(C)(=O)=O)cc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
GAA P10253 2/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
PLAU P00749 2/20 0.49
HPGD P15428 1/20 0.48
KIF11 P52732 2/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
USP28 Q96RU2 1/20 0.46
TNIK Q9UKE5 1/20 0.46
RORC P51449 1/20 0.46
CYP19A1 P11511 1/20 0.46
KDM1A O60341 1/20 0.45
PTGS2 P35354 1/20 0.45
CYP17A1 P05093 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL3378931 0.85 KIF11 (0.67) GAAMAPK1HPGDKIF11TNIK
SCHEMBL3379345 0.84 KIF11 (0.68) EPHX2GAAMAPK1HPGDKIF11
SCHEMBL3378764 0.82 PTGS2 (0.51) GAAMAPK1LMNAHPGDKIF11
SCHEMBL3374889 0.82 POLB (0.55) EPHX2GAAMAPK1PLAUHPGD
SCHEMBL4668688 0.80 LMNA (0.72) GAAMAPK1LMNATP53PLAU
SCHEMBL3375971 0.79 KIF11 (0.66) EPHX2GAAMAPK1HPGDKIF11
SCHEMBL24876264 0.78 LMNA (0.50) LMNATP53PLAUHPGDCYP19A1
SCHEMBL171658 0.78 LMNA (0.79) GAAMAPK1LMNATP53HPGD
SCHEMBL3377083 0.77 PTGS2 (0.52) GAAMAPK1LMNATP53HPGD
SCHEMBL3374747 0.77 KIF11 (0.51) GAAMAPK1LMNAHPGDKIF11

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 6 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
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

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 EPHX2 1898/4885GAA 1564/4885MAPK1 1122/4885

“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.