SCHEMBL848169

SCHEMBL848169

C[C@@H](C(=O)Nc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1)n1ccc2c(F)cccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
SCN3A Q9NY46 2/20 0.52
SCN1A P35498 1/20 0.52
SCN4A P35499 1/20 0.52
SCN5A Q14524 1/20 0.52
SCN9A Q15858 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN8A Q9UQD0 1/20 0.52
SCN10A Q9Y5Y9 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 3/20 0.51
PKM P14618 1/20 0.50
ALOX12 P18054 1/20 0.49

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
SCHEMBL848170 1.00 ALDH1A1 (0.53) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL1102107 0.97 TDP1 (0.55) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL1102264 0.85 TDP1 (0.56) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL1102265 0.84 KMT2A (0.61) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL2626497 0.82 ALOX12 (0.42) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL14473356 0.81 ALDH1A1 (0.43) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL2626545 0.81 SCN8A (0.42) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL1822091 0.81 SCN8A (0.42) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL1102089 0.81 MEN1 (0.55) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL10165505 0.81 POLB (0.46) ALDH1A1TDP1MEN1KMT2ASCN3A

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-8236833-B2 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 US disclosed
US-8236833-B2 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 US disclosed
US-8236833-B2 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 US disclosed
EP-1934191-B1 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMA (US) 2012-03-28 EP disclosed
US-20100130548-A1 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-27 US disclosed
US-20100130548-A1 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-27 US disclosed
US-20100130548-A1 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-27 US disclosed
US-7683083-B2 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 US disclosed
US-7683083-B2 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 US disclosed
US-7683083-B2 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 US disclosed
US-20080113990-A1 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080113990-A1 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080113990-A1 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
WO-2007047474-A2 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-26 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-20100130548-A1 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS TRPV1, TRPA1, TRPV2 ALDH1A1 1636/4885TDP1 4075/4885KDM4E 2475/4885
US-20080113990-A1 Biphenyl derivatives as modulators of voltage gated ion channels TRPV1, TRPA1, TRPV2 ALDH1A1 1636/4885TDP1 4075/4885KDM4E 2475/4885

“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.