SCHEMBL3380147

SCHEMBL3380147

Cc1cc(NS(=O)(=O)C2CC2)ccc1-c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.44
JAK1 P23458 2/20 0.43
NR3C1 P04150 4/20 0.42
NR3C2 P08235 4/20 0.42
AR P10275 3/20 0.42
TNIK Q9UKE5 1/20 0.42
CYP17A1 P05093 2/20 0.42
ALDH2 P05091 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
HTR6 P50406 1/20 0.41
BRPF1 P55201 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CTPS1 P17812 1/20 0.39
UCHL1 P09936 1/20 0.39
USP30 Q70CQ3 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
SCHEMBL1631908 0.78 PGR (0.74) PGRNR3C1NR3C2ARALDH2
SCHEMBL3374290 0.78 ACACB (0.45) JAK1CYP17A1BRPF1CTPS1
SCHEMBL3378377 0.75 ADH5 (0.47) JAK1CYP17A1
SCHEMBL1631165 0.73 PGR (0.78) PGRNR3C1NR3C2ARTNIK
SCHEMBL24369437 0.73 SLC22A12 (0.49) CTPS1
SCHEMBL3377869 0.72 KIF11 (0.47) CYP17A1EGLN2
SCHEMBL7634772 0.71 ALDH1A1 (0.48) EGLN2
SCHEMBL527428 0.71 CYP17A1 (0.67) JAK1CYP17A1BRPF1
SCHEMBL3378360 0.71 PGR (0.43) PGRCYP17A1EGLN2UCHL1USP30
SCHEMBL4179711 0.70 FASN (0.56)

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
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-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 4327/4885JAK1 4196/4885NR3C1 2869/4885

“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.