SCHEMBL3071407

SCHEMBL3071407

O=[N+]([O-])c1ccc(S(=O)(=O)CCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.51
MMP1 P03956 3/20 0.50
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 2/20 0.48
CA5A P35218 1/20 0.48
TSHR P16473 1/20 0.45
HSD11B1 P28845 1/20 0.45
TGM2 P21980 1/20 0.44
CA12 O43570 2/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
CA4 P22748 1/20 0.43
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
CA14 Q9ULX7 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL6512769 0.82 HSD11B1 (0.56) MMP1CA1CA2CA9TSHR
SCHEMBL3068587 0.81 SCN3A (0.57) SCN3AMMP1NPC1KMT2A
SCHEMBL3051021 0.81 SCN3A (0.54) SCN3AMMP1NPC1KMT2A
SCHEMBL2352042 0.81 NPC1 (0.65) CA1CA2CA9CA5ATSHR
SCHEMBL16273102 0.81 KMT2A (0.60) MMP1CA9TSHRKCNJ1KCNH2
SCHEMBL30396356 0.80 SCN3A (0.53) SCN3AMMP1CA1CA2HSD11B1
SCHEMBL439543 0.78 CA1 (0.60) CA1CA2CA9CA5AHSD11B1
SCHEMBL27947182 0.76 CA1 (0.61) MMP1CA1CA2CA9CA5A
SCHEMBL19126866 0.76 CA2 (0.59) MMP1CA1CA2CA9CA5A
SCHEMBL31540565 0.75 TSHR (0.56) CA1CA2CA9CA5ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357685-A1 Sodium Channel Inhibitors ICAGEN INC (US) 2014-12-04 US disclosed
US-20140357685-A1 Sodium Channel Inhibitors ICAGEN INC (US) 2014-12-04 US disclosed
US-20140357685-A1 Sodium Channel Inhibitors ICAGEN INC (US) 2014-12-04 US disclosed
US-8853250-B2 Sodium channel inhibitors ICAGEN, INC. (US) 2014-10-07 US disclosed
US-8853250-B2 Sodium channel inhibitors ICAGEN, INC. (US) 2014-10-07 US disclosed
US-8853250-B2 Sodium channel inhibitors ICAGEN, INC. (US) 2014-10-07 US disclosed
EP-2175728-B1 SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2014-09-10 EP disclosed
US-20100267782-A1 SODIUM CHANNEL INHIBITORS ICAGEN, INC (US) 2010-10-21 US disclosed
US-20100267782-A1 SODIUM CHANNEL INHIBITORS ICAGEN, INC (US) 2010-10-21 US disclosed
US-20100267782-A1 SODIUM CHANNEL INHIBITORS ICAGEN, INC (US) 2010-10-21 US disclosed
EP-2175728-A1 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-21 EP disclosed
WO-2009012241-A1 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 WO disclosed
WO-2009012241-A1 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 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-20140357685-A1 Sodium Channel Inhibitors TRPV1, SCN1A, SCN2A SCN3A 8/4885MMP1 2075/4885CA1 1231/4885
US-20100267782-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A SCN3A 8/4885MMP1 2075/4885CA1 1231/4885

“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.