SCHEMBL1102005

SCHEMBL1102005

CCc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.77
SCN3A Q9NY46 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
LMNA P02545 2/20 0.60
TSHR P16473 1/20 0.60
TDP1 Q9NUW8 1/20 0.59
THRB P10828 1/20 0.58
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
ALOX12 P18054 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL15113409 0.91 PKM (0.79) PKMSCN3ASMN1; SMN2MEN1KMT2A
SCHEMBL15113431 0.90 MEN1 (0.76) PKMSCN3ASMN1; SMN2MEN1KMT2A
SCHEMBL15113342 0.89 PKM (0.79) PKMSCN3ASMN1; SMN2MEN1KMT2A
SCHEMBL15113337 0.89 PKM (0.79) PKMSCN3ASMN1; SMN2MEN1KMT2A
SCHEMBL15113262 0.87 PKM (0.79) PKMSCN3ASMN1; SMN2MEN1KMT2A
SCHEMBL15116293 0.87 PKM (1.00) PKMSCN3ASMN1; SMN2MEN1KMT2A
SCHEMBL15113365 0.87 PKM (0.75) PKMSCN3ASMN1; SMN2MEN1KMT2A
SCHEMBL15113371 0.85 PKM (0.76) PKMSCN3ASMN1; SMN2MEN1KMT2A
SCHEMBL15113438 0.85 PKM (0.76) PKMSCN3ASMN1; SMN2MEN1KMT2A
SCHEMBL15116296 0.85 PKM (0.74) PKMSCN3ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
EP-2332912-A1 Heteroarylaminosulfonylphenylderivates for use as sodium or calcium channel blockers in the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-15 EP disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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 (4 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 PKM 4054/4885SCN3A 17/4885SMN1; SMN2 524/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 PKM 4054/4885SCN3A 17/4885SMN1; SMN2 524/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 PKM 4054/4885SCN3A 17/4885SMN1; SMN2 524/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 PKM 4054/4885SCN3A 17/4885SMN1; SMN2 524/4885

“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.