SCHEMBL13337357

SCHEMBL13337357

Cc1ccc(CN(c2ccc(-c3ccc(Oc4ccccc4)cc3)c(C)c2)S(C)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.56
PTGES O14684 1/20 0.52
ALOX5 P09917 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.46
PGR P06401 5/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.43
MMP2 P08253 4/20 0.43
MMP9 P14780 4/20 0.43
MCL1 Q07820 1/20 0.42

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
SCHEMBL3376339 0.90 PTGES (0.58) NR3C1PTGESALOX5SMN1; SMN2PTPN22
SCHEMBL3379996 0.88 NR3C1 (0.58) NR3C1PTGESALOX5SMN1; SMN2PGR
SCHEMBL13337354 0.85 SMN1; SMN2 (0.51) NR3C1SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL3376558 0.85 PTGES (0.46) NR3C1PTGESALOX5SMN1; SMN2LMNA
SCHEMBL3377815 0.84 PTGES (0.52) NR3C1PTGESALOX5SMN1; SMN2PGR
SCHEMBL3377212 0.82 SMN1; SMN2 (0.71) SMN1; SMN2LMNAALDH1A1NPSR1MMP2
SCHEMBL3376552 0.78 NR3C1 (0.48) NR3C1PTGESALOX5SMN1; SMN2PGR
SCHEMBL3376989 0.77 SMN1; SMN2 (0.54) SMN1; SMN2LMNAALDH1A1NPSR1MMP2
SCHEMBL3374754 0.76 MCL1 (0.51) NR3C1PTGESALOX5SMN1; SMN2PGR
SCHEMBL3374719 0.74 NR3C1 (0.42) NR3C1PTGESALOX5SMN1; SMN2PGR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NR3C1 2869/4885PTGES 668/4885ALOX5 1350/4885

“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.