SCHEMBL3581440

SCHEMBL3581440

CCOC(=O)N=S(C)(=O)c1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 9/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.45
CDK1 P06493 2/20 0.42
CDK2 P24941 2/20 0.42
KDR P35968 2/20 0.42
TDP1 Q9NUW8 4/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 2/20 0.40
PDE2A O00408 1/20 0.40
PDE5A O76074 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL3941625 0.88 HPGD (0.49) HPGDRAB9AALDH1A1GAAMAPT
SCHEMBL13021530 0.88 HPGD (0.49) HPGDRAB9AALDH1A1GAAMAPT
SCHEMBL3584050 0.85 HPGD (0.47) HPGDRAB9AALDH1A1GAAMAPT
SCHEMBL2821089 0.83 HPGD (0.62) HPGDRAB9AALDH1A1GAAMAPT
SCHEMBL12390715 0.80 HPGD (0.57) HPGDRAB9AALDH1A1GAAMAPT
SCHEMBL2815972 0.80 HPGD (0.57) HPGDRAB9AALDH1A1GAAMAPT
SCHEMBL3932396 0.79 L3MBTL1 (0.51) HPGDRAB9AALDH1A1GAAMAPT
SCHEMBL2818494 0.78 HPGD (0.49) HPGDRAB9AALDH1A1GAAMAPT
SCHEMBL3937011 0.78 MAPT (0.46) ALDH1A1GAAMAPTKMT2ATDP1
SCHEMBL14463493 0.77 HPGD (0.40) HPGDRAB9AALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-03-25 US disclosed
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-03-25 US disclosed
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-03-25 US disclosed
EP-1673352-B1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CD AND/OR VEGF-INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS BAYER SCHERING PHARMA AG (DE) 2009-04-08 EP 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-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

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-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-20100076000-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

“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.