SCHEMBL3378469

SCHEMBL3378469

COC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)ccc1NS(=O)(=O)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.51
MRGPRX1 Q96LB2 7/20 0.47
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A3 Q01959 1/20 0.42
FAAH O00519 2/20 0.40
SCN9A Q15858 1/20 0.40
KDM1A O60341 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3377038 0.90 ACLY (0.60) ACLYMRGPRX1CYP1A2CYP2C9SCN9A
SCHEMBL3377241 0.87 TSHR (0.51) ACLYCYP1A2CYP2C9SMN1; SMN2SLC6A3
SCHEMBL3377563 0.77 CYP2C9 (0.58) ACLYCYP1A2CYP2C9SMN1; SMN2SLC6A3
SCHEMBL3375824 0.77 ACLY (0.45) ACLYMRGPRX1RECQLSMN1; SMN2SCN9A
SCHEMBL21384614 0.77 MRGPRX1 (0.57) ACLYMRGPRX1SLC6A3
SCHEMBL13337363 0.76 ALDH1A1 (0.49) MRGPRX1SMN1; SMN2
SCHEMBL3375684 0.76 ACLY (0.43) ACLYMRGPRX1SCN9A
SCHEMBL3374882 0.75 PGR (0.55) SCN9A
SCHEMBL3375830 0.74 PGR (0.49) CYP1A2CYP2C9SMN1; SMN2SLC6A3
SCHEMBL23014686 0.72 KDM4E (0.57) ACLYMRGPRX1RECQLSMN1; SMN2KDM1A

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 10 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
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 ACLY 2299/4885MRGPRX1 1691/4885CYP1A2 1827/4885

“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.