SCHEMBL4457004

SCHEMBL4457004

CS(=O)(=O)c1ccc(-c2ncc(CNC3CCN(C(=O)O)CC3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
JAK3 P52333 1/20 0.41
GHSR Q92847 2/20 0.40
FABP6 P51161 1/20 0.40
CXCR4 P61073 1/20 0.40
DRD4 P21917 1/20 0.40
GPR119 Q8TDV5 3/20 0.40
PIK3CD O00329 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRKAA2 P54646 6/20 0.39
PRKAB2 O43741 3/20 0.39
PRKAG1 P54619 3/20 0.39
PRKAA1 Q13131 3/20 0.39
PRKAG3 Q9UGI9 3/20 0.39
PRKAG2 Q9UGJ0 3/20 0.39
PRKAB1 Q9Y478 3/20 0.39
EPHX1 P07099 1/20 0.38
EPHX2 P34913 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
SCHEMBL3981387 0.88 GPR119 (0.44) HSP90AA1HSP90AB1JAK3GHSRFABP6
SCHEMBL5079273 0.86 GPR119 (0.55) GPR119
SCHEMBL3983393 0.83 PAICS (0.43) HSP90AA1HSP90AB1JAK3GPR119PIK3CD
SCHEMBL4457145 0.80 GPR119 (0.42) GPR119MEN1KMT2AKCNH2
SCHEMBL4972827 0.78 GPR119 (0.39) HSP90AA1HSP90AB1JAK3GHSRGPR119
SCHEMBL3987089 0.75 GPR119 (0.59) GPR119
SCHEMBL2924166 0.74 TEAD1 (0.51) CXCR4DRD4EPHX2
SCHEMBL3981032 0.73 GPR119 (0.42) GPR119PIK3CD
SCHEMBL3985988 0.72 KDM1A (0.48) CXCR4DRD4MEN1KMT2AEPHX1
SCHEMBL3984090 0.72 CXCR4 (0.42) CXCR4DRD4PRKAA2

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 HSP90AA1 4131/4885HSP90AB1 3958/4885JAK3 2511/4885

“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.