SCHEMBL2815972

SCHEMBL2815972

CCOC(=O)N=S(C)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
FKBP1A P62942 1/20 0.53
ALDH1A1 P00352 3/20 0.52
GAA P10253 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 4/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.48
F2 P00734 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
MEN1 O00255 2/20 0.48
ALOX5 P09917 1/20 0.47
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
MMP1 P03956 1/20 0.47

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
SCHEMBL12390715 1.00 HPGD (0.57) HPGDRAB9AFKBP1AALDH1A1GAA
SCHEMBL2821089 0.85 HPGD (0.62) HPGDRAB9AALDH1A1GAAMAPT
SCHEMBL1706529 0.81 POLB (0.46) HPGDRAB9AKMT2AHIF1A
SCHEMBL14153651 0.81 HPGD (0.49) HPGDRAB9AALDH1A1GAAMAPT
SCHEMBL3581440 0.80 HPGD (0.51) HPGDRAB9AALDH1A1GAAMAPT
SCHEMBL12390716 0.79 POLB (0.50) HPGDRAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL17501270 0.79 POLB (0.44) HPGDRAB9AALDH1A1MAPTMAPK1
SCHEMBL2464413 0.79 POLB (0.50) HPGDRAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL14495875 0.79 POLB (0.50) HPGDRAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL27682339 0.79 FKBP1A (0.55) HPGDFKBP1AALDH1A1GAAMAPT

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
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-8524724-B2 2013-09-03 US disclosed
US-7825128-B2 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER SCHERING PHARMA AG (DE) 2010-11-02 US disclosed
US-20090099219-A1 ALKYNYLPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-16 US disclosed
EP-2022785-A1 Alkynylpyrimidines as Tie2 kinase inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-11 EP disclosed
EP-1963282-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 EP 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

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-20090099219-A1 ALKYNYLPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 HPGD 1789/4885RAB9A 4643/4885FKBP1A 3587/4885
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs TYMS, DPYD, DHFR HPGD 194/4885RAB9A 3649/4885FKBP1A 1781/4885

“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.