SCHEMBL2819583

SCHEMBL2819583

CC(C)(C)OC(=O)CCOc1nc(Cl)ncc1-c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GBA1 P04062 3/20 0.36
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
KEAP1 Q14145 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL2816892 0.79 JUN (0.35) JUNNFKB1NFKB2RELAMAPT
SCHEMBL2818485 0.79 ALDH1A1 (0.41) JUNNFKB1NFKB2RELAMAPT
SCHEMBL2819965 0.78 GLA (0.39) JUNNFKB1NFKB2RELAMAPT
SCHEMBL2818592 0.77 JUN (0.34) JUNNFKB1NFKB2RELAMAPT
SCHEMBL2816189 0.76 STK17B (0.39) ALDH1A1GAASTK17BSTK17AKDM4E
SCHEMBL2819568 0.74 NPC1 (0.44) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL14395990 0.73 CDK1 (0.33) MAPTALDH1A1GAAKEAP1LMNA
SCHEMBL2817912 0.72 FYN (0.34) JUNNFKB1NFKB2RELAMAPT
SCHEMBL13021642 0.72 FYN (0.34) JUNNFKB1NFKB2RELAMAPT
SCHEMBL13021806 0.72 CDK2 (0.50)

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 GABRA1 1121/4885GABRG2 1472/4885GABRB3 1444/4885

“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.