SCHEMBL3941625

SCHEMBL3941625

CCOC(=O)N=S(C)(=O)c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 8/20 0.48
GAA P10253 3/20 0.48
LMNA P02545 5/20 0.43
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 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
SCHEMBL14463493 0.89 HPGD (0.40) HPGDRAB9AALDH1A1GAALMNA
SCHEMBL3581440 0.88 HPGD (0.51) HPGDRAB9AALDH1A1GAALMNA
SCHEMBL13021530 0.86 HPGD (0.49) HPGDRAB9AALDH1A1GAALMNA
SCHEMBL3584050 0.85 HPGD (0.47) HPGDRAB9AALDH1A1GAALMNA
SCHEMBL14422472 0.81 ALDH1A1 (0.43) ALDH1A1GAALMNAMAPTKMT2A
SCHEMBL2821089 0.81 HPGD (0.62) HPGDRAB9AALDH1A1GAALMNA
SCHEMBL3937049 0.80 POLB (0.42) HPGDRAB9AALDH1A1GAALMNA
SCHEMBL3941630 0.80 SMN1; SMN2 (0.44) ALDH1A1GAALMNAMAPTKMT2A
SCHEMBL12390715 0.78 HPGD (0.57) HPGDRAB9AALDH1A1GAALMNA
SCHEMBL2815972 0.78 HPGD (0.57) HPGDRAB9AALDH1A1GAALMNA

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 9 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-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
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-20070191393-A1 Macrocyclic anilinopyrimidines with substituted sulphoximine as selective inhibitors of cell cycle kinases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-08-16 US disclosed
WO-2007079982-A1 (2 , 4 , 9-TRIAZA-1 (2 , 4 ) -PYRIMIDINA-3 ( 1 , 3 ) -BENZENACYCLONONAPHANE-3 4-YL) -SULFOXIMINE DERIVATIVES AS SELECTIVE AURORA KINASE INHIBITORS FOR THE TREATMENT OF CANCER BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-19 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-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
US-20070191393-A1 Macrocyclic anilinopyrimidines with substituted sulphoximine as selective inhibitors of cell cycle kinases CCNI, CDK2, CDK1 HPGD 2250/4885RAB9A 4568/4885ALDH1A1 3242/4885

“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.