SCHEMBL16029554

SCHEMBL16029554

O=[N+]([O-])c1cc[n+]([O-])cc1SCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GSTP1 P09211 4/20 0.51
GSTM2 P28161 4/20 0.51
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 5/20 0.44
POLB P06746 2/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 1/20 0.43
CTSB P07858 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
ALPG P10696 1/20 0.38

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
SCHEMBL5376331 0.81 MEN1 (0.65) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL10646397 0.74 KMT2A (0.35) MEN1KMT2ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL27225074 0.73 GSTP1 (0.54) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL16225668 0.73 GSTP1 (0.54) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL29449334 0.73 PDE7A (0.55) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL11409450 0.73 GSTP1 (0.54) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL8563127 0.73 MEN1 (0.59) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL28127 0.73 PDE7A (0.55) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL17784719 0.72 GSTP1 (0.53) MEN1KMT2AGSTP1GSTM2CYP1A2
SCHEMBL15155567 0.72 CYP3A4 (0.55) MEN1KMT2AGSTP1GSTM2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970239-B1 SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2018-10-10 EP disclosed
US-9670190-B2 Pyridinyl and pyrimidinyl sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-06-06 US disclosed
EP-2970239-A1 PYRIDINYL AND PYRIMIDINYL SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-01-20 EP disclosed
WO-2014159657-A1 PYRIDINYL AND PYRIMIDINYL SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-10-02 WO disclosed
WO-2014159657-A1 PYRIDINYL AND PYRIMIDINYL SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-10-02 WO disclosed
US-20140275132-A1 PYRIDINYL AND PYRIMIDINYL SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-09-18 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 (1 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-20140275132-A1 PYRIDINYL AND PYRIMIDINYL SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CCR5, CX3CR1, CXCR3 MEN1 4737/4885KMT2A 4630/4885GSTP1 2648/4885

“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.