SCHEMBL3376552

SCHEMBL3376552

Cc1cc(N(Cc2ccc(CC(=O)O)cc2)S(=O)(=O)C2CC2)ccc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.48
PTGES O14684 3/20 0.43
ALOX5 P09917 2/20 0.43
PTPN22 Q9Y2R2 1/20 0.42
SRD5A2 P31213 2/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
PGR P06401 1/20 0.39

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
SCHEMBL14732221 0.91 SRD5A2 (0.42) NR3C1PTGESALOX5PTPN22SRD5A2
SCHEMBL14732220 0.84 SMN1; SMN2 (0.39) NR3C1PTGESALOX5SRD5A2SMN1; SMN2
SCHEMBL3376339 0.78 PTGES (0.58) NR3C1PTGESALOX5PTPN22SRD5A2
SCHEMBL13337357 0.78 NR3C1 (0.56) NR3C1PTGESALOX5PTPN22MCL1
SCHEMBL3377212 0.75 SMN1; SMN2 (0.71) SMN1; SMN2
SCHEMBL3376558 0.74 PTGES (0.46) NR3C1PTGESALOX5PTPN22MCL1
SCHEMBL3379996 0.73 NR3C1 (0.58) NR3C1PTGESALOX5PTPN22SMN1; SMN2
SCHEMBL3377815 0.73 PTGES (0.52) NR3C1PTGESALOX5PTPN22MCL1
SCHEMBL13337354 0.72 SMN1; SMN2 (0.51) NR3C1SMN1; SMN2
SCHEMBL3376989 0.69 SMN1; SMN2 (0.54) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.