SCHEMBL3374753

SCHEMBL3374753

CNC(=O)c1cc(NS(=O)(=O)CCc2ccc(S(C)(=O)=O)cc2)ccc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
PTGS2 P35354 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
FAAH O00519 1/20 0.40
MCL1 Q07820 2/20 0.40
PGR P06401 1/20 0.39
ACLY P53396 1/20 0.38
IKBKB O14920 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38

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
SCHEMBL3374754 0.78 MCL1 (0.51) MMP13MCL1PGR
SCHEMBL3375581 0.75 HDAC4 (0.41) MMP13MCL1PGRACLYCYP17A1
SCHEMBL3375904 0.72 PGR (0.54) MMP13GRIN1GRIN2BMCL1PGR
SCHEMBL3375830 0.65 PGR (0.49) PTGS2MCL1PGR
SCHEMBL10947465 0.65 LTA4H (0.52) PTGS2CA12CA1CA2CA9
SCHEMBL7359540 0.64 SOS1 (0.64) MMP8MMP13PTGS2CA1CA2
SCHEMBL3376463 0.64 PGR (0.66) GRIN1GRIN2BPGRCYP17A1FFAR1
SCHEMBL1676176 0.63 PTGS2 (0.63) PTGS2MCL1
SCHEMBL3378352 0.63 PGR (0.64) GRIN1GRIN2BPGRIKBKBCYP17A1
SCHEMBL2758529 0.61 KMT2A (0.54) PTGS2

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 3 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

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 MMP8 4255/4885MMP12 4570/4885MMP13 4712/4885

“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.