SCHEMBL3379326

SCHEMBL3379326

CC(C)Oc1ccc(-c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
CYP19A1 P11511 1/20 0.44
KIF11 P52732 3/20 0.43
FFAR4 Q5NUL3 1/20 0.41
MAP4K4 O95819 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
TGFBR1 P36897 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL3375889 0.81 PGR (0.55) CYP19A1KIF11MMP1MEN1MAPT
SCHEMBL3376489 0.80 SCN9A (0.56) KIF11KMT2ASCN9AMAOAPIK3CA
SCHEMBL3377558 0.75 PTGS2 (0.50) KIF11MAOA
SCHEMBL4659924 0.74 KIF11 (0.74) EPHX2NR1H4KIF11
SCHEMBL24481324 0.74 L3MBTL1 (0.46) CYP19A1KDM4EADRB3
SCHEMBL3712990 0.72 ADRB3 (0.41) CYP19A1KIF11ADRB3
SCHEMBL5676864 0.72 ADRB3 (0.41) CYP19A1KIF11ADRB3
Hydrochloric Acid SCHEMBL537906 0.71 ADRB3 (0.40) CYP19A1KIF11ADRB3
SCHEMBL14906059 0.70 MCL1 (0.61) KIF11MAPT
SCHEMBL4662621 0.70 KIF11 (0.47) KIF11MAOA

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 EPHX2 1898/4885NR1H4 2215/4885CYP19A1 3094/4885

“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.