SCHEMBL3375904

SCHEMBL3375904

CC(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.54
BRD4 O60885 2/20 0.45
KCNA3 P22001 3/20 0.45
NR3C1 P04150 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
F10 P00742 1/20 0.43
BTK Q06187 2/20 0.43
MCL1 Q07820 1/20 0.42
ACACB O00763 2/20 0.42
ACACA Q13085 2/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 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
SCHEMBL3376463 0.78 PGR (0.66) PGRBRD4NR3C1ALDH1A1HPGD
SCHEMBL3378352 0.77 PGR (0.64) PGRBRD4NR3C1HPGDHTT
SCHEMBL4276293 0.77 HPGD (0.55) PGRALDH1A1HPGDF10
SCHEMBL3375581 0.75 HDAC4 (0.41) PGRMCL1MMP2MMP13
SCHEMBL3376915 0.75 PGR (0.90) PGRHPGDHTTBTK
SCHEMBL3376522 0.74 PGR (0.59) PGRBRD4NR3C1HPGDHTT
SCHEMBL28015271 0.73 PGR (1.00) PGRHPGDHTT
SCHEMBL3374753 0.72 MMP8 (0.42) PGRIKBKBMCL1GRIN1GRIN2B
SCHEMBL28178583 0.69 PGR (0.72) PGRNR3C1ALDH1A1HTTGRIN1
SCHEMBL29160921 0.69 MAPT (0.50) KCNA3HPGDHTT

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 4327/4885BRD4 402/4885KCNA3 24/4885

“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.