SCHEMBL4452034

SCHEMBL4452034

NS(=O)(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)O)CC3)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.44
CA12 O43570 7/20 0.44
CA1 P00915 7/20 0.44
CA9 Q16790 6/20 0.44
CA14 Q9ULX7 4/20 0.44
CA7 P43166 3/20 0.44
CA4 P22748 1/20 0.43
AOC3 Q16853 3/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
GRIN2B Q13224 1/20 0.39
MEN1 O00255 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN11 Q06124 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
ACHE P22303 1/20 0.39
MAP4K4 O95819 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
SCHEMBL4457000 0.89 PTGS2 (0.44) AOC3GRIN2BGPR119ACHE
SCHEMBL4466641 0.86 KCNH2 (0.40) CA2AOC3GRIN2BGPR119ACHE
SCHEMBL4461516 0.86 NPY2R (0.40) AOC3GRIN2BGPR119ACHE
SCHEMBL14191523 0.86 GPR119 (0.57) GPR119
SCHEMBL4456604 0.84 POLB (0.49) MEN1KMT2A
SCHEMBL4456659 0.84 PARP15 (0.48) AOC3GRIN2BGPR119ACHEMAP4K4
SCHEMBL4455518 0.83 GRIN2B (0.46) AOC3GRIN2BGPR119ACHEMAP4K4
SCHEMBL4457890 0.82 CNR1 (0.43) AOC3GRIN2BGPR119ACHE
SCHEMBL4461819 0.80 CHRM4 (0.43) AOC3GRIN2BGPR119ACHEMAP4K4
SCHEMBL4455478 0.79 GPR119 (0.46) AOC3GRIN2BGPR119ACHEMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP claimed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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-20080103141-A1 New compounds GPR119, GPR3, GPR4 CA2 1140/4885CA12 728/4885CA1 2855/4885

“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.