SCHEMBL3376989

SCHEMBL3376989

Cc1cc(N(CC(=O)OC(C)(C)C)S(C)(=O)=O)ccc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 4/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
PPARG P37231 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MAPT P10636 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
SCHEMBL3377212 0.87 SMN1; SMN2 (0.71) SMN1; SMN2MMP2MMP9GAALMNA
SCHEMBL3376558 0.83 PTGES (0.46) SMN1; SMN2MMP2MMP9GAALMNA
SCHEMBL13337354 0.82 SMN1; SMN2 (0.51) SMN1; SMN2MMP2MMP9GAALMNA
SCHEMBL13337356 0.80 SMN1; SMN2 (0.48) SMN1; SMN2MMP2MMP9GAALMNA
SCHEMBL3376339 0.78 PTGES (0.58) SMN1; SMN2MMP2MMP9
SCHEMBL13337357 0.77 NR3C1 (0.56) SMN1; SMN2MMP2MMP9LMNANPSR1
SCHEMBL3377815 0.77 PTGES (0.52) SMN1; SMN2MMP2MMP9LMNAALDH1A1
SCHEMBL3377230 0.75 SMN1; SMN2 (0.51) SMN1; SMN2MMP2MMP9GAALMNA
SCHEMBL3377232 0.75 SMN1; SMN2 (0.51) SMN1; SMN2MMP2MMP9GAALMNA
SCHEMBL3379996 0.73 NR3C1 (0.58) SMN1; SMN2LMNAKMT2AMEN1HTT

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
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 SMN1; SMN2 1551/4885MMP2 4005/4885MMP9 3188/4885

“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.