SCHEMBL847819

SCHEMBL847819

O=C(COc1ccnc2c(C(F)(F)F)cccc12)Nc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.61
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
SCN3A Q9NY46 1/20 0.51
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
USP2 O75604 2/20 0.47
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HCRTR1 O43613 1/20 0.46
MAPT P10636 1/20 0.46
PPARG P37231 1/20 0.46
HTT P42858 1/20 0.46
NCOA2 Q15596 1/20 0.46

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
SCHEMBL1091795 0.98 PKM (0.64) PKMMEN1KMT2ASCN3ALMNA
SCHEMBL11912027 0.90 SCN3A (0.53) PKMMEN1KMT2ASCN3ALMNA
SCHEMBL1091007 0.87 PKM (0.49) PKMMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9972220 0.87 PKM (0.75) PKMMEN1KMT2ASCN3ALMNA
SCHEMBL12452898 0.87 PKM (0.65) PKMMEN1KMT2ASCN3ALMNA
SCHEMBL1102125 0.87 PKM (0.61) PKMMEN1KMT2ASCN3ALMNA
SCHEMBL1091123 0.86 KMT2A (0.53) PKMMEN1KMT2ASCN3AALDH1A1
SCHEMBL13444715 0.85 NPC1 (0.43) PKMMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL15113357 0.84 PKM (0.74) PKMMEN1KMT2ASCN3ALMNA
SCHEMBL15113335 0.83 PKM (0.70) PKMMEN1KMT2ASCN3ALMNA

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 PKM 3777/4885MEN1 4803/4885KMT2A 2708/4885
US-20080113990-A1 Biphenyl derivatives as modulators of voltage gated ion channels TRPV1, TRPA1, TRPV2 PKM 3777/4885MEN1 4803/4885KMT2A 2708/4885

“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.