SCHEMBL2286874

SCHEMBL2286874

O=C(NC1Cc2ccc(S(=O)(=O)Nc3nccs3)cc2C1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
PKM P14618 2/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2C9 P11712 1/20 0.46
EDNRA P25101 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SCN3A Q9NY46 4/20 0.45
CYP1A2 P05177 1/20 0.45
SCN9A Q15858 2/20 0.45
BRAF P15056 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL27710954 0.86 ALDH1A1 (0.47) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL12377117 0.85 SCN3A (0.59) KMT2AMEN1SCN3ASCN9A
SCHEMBL2287872 0.83 MEN1 (0.61) ALDH1A1PKMKMT2AMEN1SMN1; SMN2
SCHEMBL12377113 0.82 CA1 (0.49) ALDH1A1PKMKMT2AMEN1KDM4E
SCHEMBL12377124 0.82 MEN1 (0.57) ALDH1A1PKMKMT2AMEN1SMN1; SMN2
SCHEMBL12377138 0.81 MEN1 (0.48) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL12377107 0.81 SCN9A (0.47) SCN3ASCN9A
SCHEMBL12377114 0.80 MEN1 (0.50) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL12377120 0.80 SCN3A (0.62) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL2287036 0.79 ALDH1A1 (0.58) ALDH1A1PKMKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989481-B2 Indane derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US disclosed
US-7989481-B2 Indane derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US disclosed
US-7989481-B2 Indane derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US disclosed
US-20090326023-A1 Indane Derivatives as Modulators of ION Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-31 US disclosed
US-20090326023-A1 Indane Derivatives as Modulators of ION Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-31 US disclosed
US-20090326023-A1 Indane Derivatives as Modulators of ION Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-31 US disclosed
US-7605174-B2 Indane derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-20 US disclosed
US-7605174-B2 Indane derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-20 US disclosed
US-7605174-B2 Indane derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-20 US disclosed
EP-1888547-A1 INDANE DERIVATIVES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2008-02-20 EP disclosed
US-20070117801-A1 Indane derivatives as modulator of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-05-24 US disclosed
US-20070117801-A1 Indane derivatives as modulator of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-05-24 US disclosed
US-20070117801-A1 Indane derivatives as modulator of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-05-24 US disclosed
WO-2006133459-A1 INDANE DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-12-14 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-20090326023-A1 Indane Derivatives as Modulators of ION Channels KCNJ2, TRPV1, KCNJ1 ALDH1A1 1485/4885PKM 2659/4885KMT2A 2997/4885
US-20070117801-A1 Indane derivatives as modulator of ion channels KCNJ2, TRPV1, KCNJ1 ALDH1A1 1510/4885PKM 2713/4885KMT2A 2930/4885

“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.