SCHEMBL848949

SCHEMBL848949

Nc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.91
LMNA P02545 4/20 0.91
KDM4E B2RXH2 1/20 0.91
CYP2C9 P11712 1/20 0.91
EDNRA P25101 1/20 0.91
SLC6A4 P31645 1/20 0.91
ADRA1A P35348 1/20 0.91
PRMT6 Q96LA8 1/20 0.91
TDP1 Q9NUW8 1/20 0.91
SMN1; SMN2 Q16637 2/20 0.67
CYP1A2 P05177 1/20 0.60
PKM P14618 5/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ATM Q13315 1/20 0.56
AKT1 P31749 1/20 0.55
CYP2C19 P33261 1/20 0.55
PPIA P62937 2/20 0.53
SCN9A Q15858 1/20 0.53
TSHR P16473 2/20 0.53

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
Sulfathiazole SCHEMBL30130508 0.95 ALDH1A1 (1.00) ALDH1A1LMNAKDM4ECYP2C9EDNRA
Sulfathiazole SCHEMBL94165 0.95 ALDH1A1 (1.00) ALDH1A1LMNAKDM4ECYP2C9EDNRA
Sulfathiazole SCHEMBL18425505 0.94 ALDH1A1 (0.97) ALDH1A1LMNAKDM4ECYP2C9EDNRA
Sulfathiazole SCHEMBL468436 0.94 ALDH1A1 (0.97) ALDH1A1LMNAKDM4ECYP2C9EDNRA
Sulfathiazole SCHEMBL2194108 0.94 ALDH1A1 (0.97) ALDH1A1LMNAKDM4ECYP2C9EDNRA
Sulfathiazole SCHEMBL11623928 0.93 ALDH1A1 (0.94) ALDH1A1LMNAKDM4ECYP2C9EDNRA
Sulfathiazole SCHEMBL11626630 0.93 ALDH1A1 (0.94) ALDH1A1LMNAKDM4ECYP2C9EDNRA
Sulfathiazole SCHEMBL28079171 0.91 ALDH1A1 (0.91) ALDH1A1LMNAKDM4ECYP2C9EDNRA
Sulfathiazole SCHEMBL28264889 0.90 ALDH1A1 (0.89) ALDH1A1LMNAKDM4ECYP2C9EDNRA
Sulfadiazine SCHEMBL28117247 0.87 LMNA (0.84) ALDH1A1LMNAKDM4ECYP2C9EDNRA

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 17 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
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
EP-1934191-A2 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2008-06-25 EP 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
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 1636/4885LMNA 3741/4885KDM4E 2475/4885
US-20080113990-A1 Biphenyl derivatives as modulators of voltage gated ion channels TRPV1, TRPA1, TRPV2 ALDH1A1 1636/4885LMNA 3741/4885KDM4E 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.