SCHEMBL3068587

SCHEMBL3068587

O=S(=O)(Cl)c1ccc(S(=O)(=O)CCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.57
KMT2A Q03164 2/20 0.49
MMP1 P03956 1/20 0.49
NPC1 O15118 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
RORC P51449 1/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
KIF11 P52732 2/20 0.41
FDFT1 P37268 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.40

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
SCHEMBL3051021 0.84 SCN3A (0.54) SCN3AKMT2AMMP1NPC1L3MBTL1
SCHEMBL30396356 0.84 SCN3A (0.53) SCN3AKMT2AMMP1NPC1RAB9A
SCHEMBL61336 0.81 KIF11 (0.55) MMP1ALDH1A1KIF11
SCHEMBL3071407 0.81 SCN3A (0.51) SCN3AKMT2AMMP1NPC1
SCHEMBL27741752 0.80 TAAR1 (0.52) SCN3AKMT2AALDH1A1TAAR1BCHE
Methylene Chloride SCHEMBL3042021 0.79 KIF11 (0.50) KMT2AMMP1ALDH1A1BCHEACHE
SCHEMBL16273105 0.79 KMT2A (0.71) KMT2ANPC1ALDH1A1
SCHEMBL31732490 0.77 TAAR1 (0.48) SCN3AKMT2AMMP1TAAR1KIF11
SCHEMBL4186202 0.76 MMP1 (0.57) SCN3AKMT2AMMP1L3MBTL1ALDH1A1
SCHEMBL3071920 0.76 KIF11 (0.66) MMP1KIF11

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 8/4885KMT2A 1804/4885MMP1 2075/4885
US-20100267782-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A SCN3A 8/4885KMT2A 1804/4885MMP1 2075/4885

“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.