SCHEMBL3154173

SCHEMBL3154173

COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccc(C(=O)O)nc2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
P4HTM Q9NXG6 1/20 0.41
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
ECE1 P42892 1/20 0.37
ALOX12 P18054 1/20 0.37
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 3/20 0.37
TAS2R14 Q9NYV8 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
SCHEMBL3117965 0.88 TAS2R14 (0.49) MEN1KMT2ATAS2R14
SCHEMBL28282417 0.85 ESR1 (0.44) MEN1KMT2APOLBTP53NPC1
SCHEMBL13800955 0.84 KMT2A (0.42) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL20485792 0.84 CNR2 (0.43) MEN1KMT2ATP53GAAALDH1A1
SCHEMBL3168794 0.84 SMN1; SMN2 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL29668838 0.83 KEAP1 (0.41) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL17048628 0.83 KEAP1 (0.41) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL16178154 0.81 ALOX12 (0.39) MEN1KMT2APOLBTP53GAA
SCHEMBL15010527 0.81 MEN1 (0.41) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL14790529 0.81 TAS2R14 (0.48) KEAP1NFE2L2TAS2R14

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 WO disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 WO 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 (2 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 MEN1 4729/4885KMT2A 1920/4885P4HTM 1485/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 MEN1 4729/4885KMT2A 1920/4885P4HTM 1485/4885

“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.