SCHEMBL2651384

SCHEMBL2651384

CC(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
CYP2C19 P33261 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
RECQL P46063 1/20 0.49
LMNA P02545 1/20 0.48
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP19A1 P11511 1/20 0.47
ACHE P22303 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 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
SCHEMBL1016551 0.82 TSHR (0.59) TSHRCYP2C19ALDH1A1CYP1A2KDM4E
SCHEMBL3263545 0.82 TSHR (0.51) TSHRCYP2C19ALDH1A1CYP1A2KDM4E
SCHEMBL7131786 0.82 TSHR (0.62) TSHRCYP2C19ALDH1A1CYP1A2TDP1
SCHEMBL15686510 0.81 TSHR (0.57) TSHRCYP2C19ALDH1A1CYP1A2KDM4E
SCHEMBL4424906 0.81 CYP2C19 (0.50) TSHRCYP2C19ALDH1A1CYP1A2KDM4E
SCHEMBL1937393 0.81 TSHR (0.50) TSHRCYP2C19ALDH1A1CYP1A2KDM4E
SCHEMBL2337463 0.80 CYP2C19 (0.49) TSHRCYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL496751 0.80 TSHR (0.61) TSHRCYP2C19ALDH1A1CYP1A2TDP1
SCHEMBL14060330 0.79 TSHR (0.56) TSHRCYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL12862916 0.79 CYP2C19 (0.48) TSHRCYP2C19ALDH1A1CYP1A2KDM4E

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699554-B1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER IP GMBH (DE) 2016-11-02 EP disclosed
EP-2755956-B1 2,4-DISUBSTITUTED 5-FLUORO-PYRIMIDINES AS SELECTIVE CDK9 INHIBTORS BAYER IP GMBH (DE) 2016-05-18 EP disclosed
US-9108926-B2 Disubstituted 5-fluoro-pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-18 US disclosed
US-9108926-B2 Disubstituted 5-fluoro-pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-18 US disclosed
US-8916557-B2 Substituted 4-Aryl-N-phenyl-1,3,5-triazin-2-amines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-23 US disclosed
US-8916557-B2 Substituted 4-Aryl-N-phenyl-1,3,5-triazin-2-amines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-23 US disclosed
US-20140228387-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 US disclosed
US-20140228387-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 US disclosed
EP-2755956-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES Bayer Intellectual Property GmbH (DE) 2014-07-23 EP disclosed
EP-2699554-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES Bayer Intellectual Property GmbH (DE) 2014-02-26 EP disclosed
WO-2013037896-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 WO disclosed
WO-2012143399-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
EP-1183229-B1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK AS (DK) 2005-10-26 EP disclosed
US-20050203108-A1 Glucagon antagonists/inverse agonists PFIZER INC 2005-09-15 US disclosed
US-6875760-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-04-05 US disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 US disclosed
EP-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 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 (4 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-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR TSHR 95/4885CYP2C19 3941/4885ALDH1A1 3968/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR TSHR 95/4885CYP2C19 3941/4885ALDH1A1 3968/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR TSHR 95/4885CYP2C19 3941/4885ALDH1A1 3968/4885
US-20140228387-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES DPYD, DHFR, TYMP TSHR 2961/4885CYP2C19 213/4885ALDH1A1 323/4885

“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.