SCHEMBL3376915

SCHEMBL3376915

CS(=O)(=O)Nc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.90
▸ HPGD P15428 2/20 0.61
▸ HTT P42858 1/20 0.61
▸ KEAP1 Q14145 1/20 0.60
▸ KIF11 P52732 3/20 0.59
▸ NPC1 O15118 1/20 0.58
▸ AR P10275 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ FFAR1 O14842 2/20 0.56
▸ BTK Q06187 1/20 0.53
▸ FFAR4 Q5NUL3 1/20 0.53
▸ NR3C2 P08235 2/20 0.51

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
SCHEMBL28015271 0.95 PGR (1.00) PGRHPGDHTTKEAP1NPC1
SCHEMBL4205144 0.87 PGR (0.85) PGRHPGDHTTKEAP1KIF11
SCHEMBL12172176 0.87 PGR (0.84) PGRHPGDHTTKEAP1NPC1
SCHEMBL873846 0.85 KEAP1 (0.75) PGRHPGDHTTKEAP1KIF11
SCHEMBL3376463 0.82 PGR (0.66) PGRHPGDHTTNPC1AR
SCHEMBL3378352 0.81 PGR (0.64) PGRHPGDHTTNPC1AR
SCHEMBL31041151 0.81 KIF11 (0.79) PGRHPGDHTTKEAP1KIF11
SCHEMBL4668688 0.80 LMNA (0.72) PGRHPGDHTTKEAP1KIF11
SCHEMBL3112491 0.80 PGR (0.73) PGRHPGDHTTKEAP1KIF11
SCHEMBL3116450 0.80 PGR (0.73) PGRHPGDHTTKEAP1KIF11

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
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 PGR 4327/4885HPGD 633/4885HTT 444/4885

“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.

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