SCHEMBL2287872

SCHEMBL2287872

O=C(NC1Cc2ccc(S(=O)(=O)Nc3nccs3)cc2C1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 6/20 0.55
CA1 P00915 3/20 0.55
SCN3A Q9NY46 4/20 0.51
SCN9A Q15858 2/20 0.49
CA12 O43570 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA14 Q9ULX7 2/20 0.48
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL12377117 0.91 SCN3A (0.59) MEN1KMT2ACA1SCN3ASCN9A
SCHEMBL12377138 0.88 MEN1 (0.48) MEN1KMT2AALDH1A1CA1SCN3A
SCHEMBL12377113 0.88 CA1 (0.49) MEN1KMT2AALDH1A1CA1SCN3A
SCHEMBL12377114 0.87 MEN1 (0.50) MEN1KMT2AALDH1A1CA1SCN3A
SCHEMBL3159101 0.86 SCN3A (0.61) MEN1KMT2AALDH1A1CA1SCN3A
SCHEMBL12377124 0.85 MEN1 (0.57) MEN1KMT2AALDH1A1CA1SCN3A
SCHEMBL12377120 0.84 SCN3A (0.62) MEN1KMT2AALDH1A1SCN3ASCN9A
SCHEMBL2286874 0.83 ALDH1A1 (0.47) MEN1KMT2AALDH1A1SCN3ASCN9A
SCHEMBL27710954 0.83 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CA1SCN3A
SCHEMBL12377110 0.82 SCN9A (0.49) SCN3ASCN9APKM

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
CN-101238109-B Indane derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-12-14 CN 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-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
CN-101238109-A Indane derivatives as modulators of ion channels VERTEX PHARMA (US) 2008-08-06 CN 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

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 MEN1 2382/4885KMT2A 2997/4885ALDH1A1 1485/4885
US-20070117801-A1 Indane derivatives as modulator of ion channels KCNJ2, TRPV1, KCNJ1 MEN1 2271/4885KMT2A 2930/4885ALDH1A1 1510/4885

“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.