SCHEMBL3376463

SCHEMBL3376463

Cc1cc(NS(C)(=O)=O)ccc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.66
CYP17A1 P05093 2/20 0.57
GRIN1 Q05586 1/20 0.50
GRIN2B Q13224 1/20 0.50
BTK Q06187 2/20 0.48
BRD4 O60885 6/20 0.47
FFAR1 O14842 1/20 0.47
NR3C1 P04150 1/20 0.47
HPGD P15428 3/20 0.47
HTT P42858 1/20 0.47
GSTP1 P09211 1/20 0.46
EP300 Q09472 1/20 0.46
BRD2 P25440 1/20 0.46
SMARCA2 P51531 1/20 0.46
BRD3 Q15059 1/20 0.46
BRDT Q58F21 1/20 0.46
CREBBP Q92793 1/20 0.46
BRWD1 Q9NSI6 1/20 0.46
BAZ2A Q9UIF9 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL3378352 0.85 PGR (0.64) PGRCYP17A1GRIN1GRIN2BBTK
SCHEMBL3376915 0.82 PGR (0.90) PGRBTKFFAR1HPGDHTT
SCHEMBL3376522 0.82 PGR (0.59) PGRCYP17A1GRIN1GRIN2BBTK
SCHEMBL3375902 0.81 ACACB (0.49) PGRCYP17A1NR3C1KDM4E
SCHEMBL4661111 0.81 CYP17A1 (0.56) CYP17A1BRD4HPGDKDM4EALDH1A1
SCHEMBL28015271 0.81 PGR (1.00) PGRFFAR1HPGDHTTNPC1
SCHEMBL3379840 0.79 TNIK (0.54) CYP17A1NR3C1HPGDARALDH1A1
SCHEMBL3375904 0.78 PGR (0.54) PGRGRIN1GRIN2BBTKBRD4
SCHEMBL7833236 0.78 CYP17A1 (0.53) CYP17A1HPGDSMN1; SMN2ALDH1A1
SCHEMBL28178583 0.76 PGR (0.72) PGRGRIN1GRIN2BNR3C1HTT

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 11 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
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 PGR 4327/4885CYP17A1 3984/4885GRIN1 282/4885

“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.