SCHEMBL3374754

SCHEMBL3374754

CNC(=O)c1cc(N(Cc2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)ccc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.51
PTPN22 Q9Y2R2 1/20 0.46
NR3C1 P04150 5/20 0.45
PTGES O14684 3/20 0.45
ALOX5 P09917 2/20 0.45
MMP9 P14780 2/20 0.44
MMP1 P03956 1/20 0.44
MMP13 P45452 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP2 P08253 1/20 0.44
BCL2L1 Q07817 2/20 0.43
PGR P06401 1/20 0.43
PTPN1 P18031 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
SCHEMBL3374753 0.78 MMP8 (0.42) MCL1MMP13PGR
SCHEMBL3376339 0.76 PTGES (0.58) MCL1PTPN22NR3C1PTGESALOX5
SCHEMBL13337357 0.76 NR3C1 (0.56) MCL1PTPN22NR3C1PTGESALOX5
SCHEMBL3379996 0.73 NR3C1 (0.58) PTPN22NR3C1PTGESALOX5SMN1; SMN2
SCHEMBL3376558 0.72 PTGES (0.46) MCL1PTPN22NR3C1PTGESALOX5
SCHEMBL3377815 0.71 PTGES (0.52) MCL1PTPN22NR3C1PTGESALOX5
SCHEMBL3377212 0.69 SMN1; SMN2 (0.71) MMP9SMN1; SMN2MMP2
SCHEMBL3374719 0.68 NR3C1 (0.42) MCL1PTPN22NR3C1PTGESALOX5
SCHEMBL13337354 0.67 SMN1; SMN2 (0.51) NR3C1MMP9SMN1; SMN2MMP2
SCHEMBL18392320 0.67 MCL1 (1.00) MCL1NR3C1PTGESALOX5MMP9

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 3 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

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 MCL1 3270/4885PTPN22 2421/4885NR3C1 2869/4885

“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.