SCHEMBL2821089

SCHEMBL2821089

CCOC(=O)N=S(C)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.62
RAB9A P51151 1/20 0.62
ALDH1A1 P00352 2/20 0.61
GAA P10253 1/20 0.61
POLB P06746 2/20 0.48
AR P10275 2/20 0.46
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
PKM P14618 1/20 0.44
HIF1A Q16665 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL2820268 0.86 HPGD (0.62) HPGDRAB9AALDH1A1GAAPOLB
SCHEMBL2815972 0.85 HPGD (0.57) HPGDRAB9AALDH1A1GAAF2
SCHEMBL12390715 0.85 HPGD (0.57) HPGDRAB9AALDH1A1GAAF2
SCHEMBL1706509 0.83 POLB (0.54) HPGDRAB9AALDH1A1GAAPOLB
SCHEMBL3581440 0.83 HPGD (0.51) HPGDRAB9AALDH1A1GAAPOLB
SCHEMBL2820181 0.82 HPGD (0.72) HPGDRAB9AALDH1A1GAAPOLB
SCHEMBL3941625 0.81 HPGD (0.49) HPGDRAB9AALDH1A1GAAPOLB
SCHEMBL13021530 0.81 HPGD (0.49) HPGDRAB9AALDH1A1GAAPOLB
SCHEMBL14309236 0.81 POLB (0.55) HPGDRAB9AALDH1A1GAAPOLB
SCHEMBL17501019 0.81 POLB (0.51) HPGDRAB9AALDH1A1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170839-B1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS BAYER IP GMBH (DE) 2015-09-09 EP disclosed
EP-2170839-B1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS BAYER IP GMBH (DE) 2015-09-09 EP disclosed
US-8642611-B2 Alkynylpyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-8642611-B2 Alkynylpyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-8642611-B2 Alkynylpyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-8524724-B2 2013-09-03 US disclosed
US-8524724-B2 2013-09-03 US disclosed
US-8507510-B2 Sulfoximine-substituted pyrimidines as CDK- and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-13 US disclosed
US-8507510-B2 Sulfoximine-substituted pyrimidines as CDK- and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-13 US disclosed
US-8507510-B2 Sulfoximine-substituted pyrimidines as CDK- and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-13 US disclosed
WO-2008155140-A1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
US-20080064696-A1 SUBSTITUTED SULPHOXIMINES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-13 US disclosed
US-7338958-B2 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AG (DE) 2008-03-04 US disclosed
US-7338958-B2 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AG (DE) 2008-03-04 US disclosed
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 US disclosed
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 US disclosed
WO-2007071455-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 WO disclosed
EP-1673352-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CDK AND/OR VEGF INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-28 EP disclosed
US-20050176743-A1 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-08-11 US disclosed
WO-2005037800-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CDK AND/OR VEGF INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 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 (3 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-20050176743-A1 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents CDK2, CDK1, FLT1 HPGD 835/4885RAB9A 3522/4885ALDH1A1 2681/4885
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs TYMS, DPYD, DHFR HPGD 194/4885RAB9A 3649/4885ALDH1A1 328/4885
US-20080064696-A1 SUBSTITUTED SULPHOXIMINES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME TIE1, KDR, TEK HPGD 1757/4885RAB9A 4277/4885ALDH1A1 2471/4885

“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.