SCHEMBL3376339

SCHEMBL3376339

Cc1cc(N(Cc2ccc(C(=O)O)cc2)S(C)(=O)=O)ccc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.58
ALOX5 P09917 6/20 0.58
SMN1; SMN2 Q16637 2/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
KCNH2 Q12809 1/20 0.46
SRD5A2 P31213 1/20 0.45
LPAR1 Q92633 2/20 0.45
LPAR5 Q9H1C0 2/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
BCL2L1 Q07817 2/20 0.44
MCL1 Q07820 2/20 0.44
NR3C1 P04150 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
SCHEMBL3377815 0.90 PTGES (0.52) PTGESALOX5SMN1; SMN2PTPN22LPAR1
SCHEMBL13337357 0.90 NR3C1 (0.56) PTGESALOX5SMN1; SMN2PTPN22MMP2
SCHEMBL3376558 0.89 PTGES (0.46) PTGESALOX5SMN1; SMN2PTPN22KCNH2
SCHEMBL3379996 0.84 NR3C1 (0.58) PTGESALOX5SMN1; SMN2PTPN22NR3C1
SCHEMBL3377212 0.83 SMN1; SMN2 (0.71) SMN1; SMN2MMP2MMP9
SCHEMBL3379807 0.82 PTGES (0.52) PTGESALOX5SMN1; SMN2TRPM8SRD5A2
SCHEMBL13337354 0.82 SMN1; SMN2 (0.51) SMN1; SMN2MMP2MMP9NR3C1
SCHEMBL528647 0.79 SMN1; SMN2 (0.62) PTGESALOX5SMN1; SMN2KCNH2
SCHEMBL3376552 0.78 NR3C1 (0.48) PTGESALOX5SMN1; SMN2PTPN22SRD5A2
SCHEMBL3376989 0.78 SMN1; SMN2 (0.54) SMN1; SMN2MMP2MMP9

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 11 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-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
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
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 PTGES 668/4885ALOX5 1350/4885SMN1; SMN2 1551/4885

“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.