SCHEMBL3374290

SCHEMBL3374290

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.45
ACACA Q13085 2/20 0.45
CYP17A1 P05093 3/20 0.43
JAK1 P23458 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41
CTPS1 P17812 2/20 0.40
ABL1 P00519 2/20 0.39
BRPF1 P55201 1/20 0.39
KIT P10721 2/20 0.37
AAK1 Q2M2I8 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.37
SGK1 O00141 1/20 0.37

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
SCHEMBL3375902 0.84 ACACB (0.49) ACACBACACACYP17A1FFAR4
SCHEMBL3380147 0.78 PGR (0.44) CYP17A1JAK1CTPS1BRPF1
SCHEMBL3378377 0.74 ADH5 (0.47) CYP17A1JAK1SGK1
SCHEMBL1337526 0.73 ACACB (0.60) ACACBACACAFFAR4
SCHEMBL3374830 0.70 KIF11 (0.42) CTPS1MRGPRX1
SCHEMBL527428 0.69 CYP17A1 (0.67) CYP17A1JAK1ABL1BRPF1
SCHEMBL23525654 0.69 KDM1A (0.50) CYP17A1BRPF1KIT
SCHEMBL3376000 0.69 PGR (0.46) CYP17A1
SCHEMBL3379334 0.68 KIF11 (0.46) CYP17A1FFAR4ABL1KIT
SCHEMBL13337362 0.68 SCN9A (0.41) CYP17A1

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 ACACB 1289/4885ACACA 970/4885CYP17A1 3984/4885

“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.