SCHEMBL2819949

SCHEMBL2819949

NS(=O)(=O)c1ccc(CNc2nc(Cl)ncc2-c2cccs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.50
CA2 P00918 13/20 0.50
CA9 Q16790 10/20 0.50
CA12 O43570 4/20 0.50
CA14 Q9ULX7 3/20 0.50
KDM4E B2RXH2 1/20 0.44
CA7 P43166 5/20 0.43
CA13 Q8N1Q1 4/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL13021622 0.84 CA2 (0.46) CA1CA2CA9CA12CA14
Benzenesulfonamide SCHEMBL4831918 0.81 CA2 (0.39) CA1CA2CA9CA12CA14
SCHEMBL21588807 0.79 CA1 (0.62) CA1CA2CA9CA12CA14
SCHEMBL6835078 0.78 CA2 (0.60) CA1CA2CA9CA12CA14
SCHEMBL21588929 0.77 CA1 (0.59) CA1CA2CA9CA12CA14
SCHEMBL2822521 0.77 CDK1 (0.38) CA1CA2CA9CA14KDM4E
SCHEMBL9091314 0.75 HPGD (0.52) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2820445 0.73 JUN (0.39) KDM4EALDH1A1MEN1CACNA1BAPBA1
SCHEMBL4147267 0.73 KDM4E (0.52) CA1CA2CA9CA12CA14
SCHEMBL2816978 0.73 ADORA1 (0.49) KDM4EALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7825128-B2 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER SCHERING PHARMA AG (DE) 2010-11-02 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs TYMS, DPYD, DHFR CA1 3922/4885CA2 4328/4885CA9 3117/4885

“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.