SCHEMBL4464281

SCHEMBL4464281

CS(=O)(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)OCc4ccccc4)CC3)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 10/20 0.58
CYP2D6 P10635 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP3A4 P08684 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GPR119 Q8TDV5 2/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP2C19 P33261 1/20 0.46
F13A1 P00488 2/20 0.45
TGM2 P21980 2/20 0.45
TGM1 P22735 2/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45

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
SCHEMBL3984875 0.90 GRIN2B (0.50) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL4451965 0.85 GRIN2B (0.68) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL4457000 0.85 PTGS2 (0.44) GRIN2BGPR119PTGS1PTGS2
SCHEMBL2876265 0.85 GPR119 (0.56) GRIN2BGPR119
SCHEMBL4061203 0.85 GRIN2B (0.48) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL4457009 0.85 LMNA (0.47) SMN1; SMN2PTGS1PTGS2
SCHEMBL18430337 0.83 GRIN2B (0.74) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL3980600 0.83 GRIN2B (0.65) GRIN2BCYP2D6CYP2C9CYP3A4F13A1
SCHEMBL385210 0.83 GPR119 (0.61) GPR119
SCHEMBL15000907 0.81 GRIN2B (0.65) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2

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-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
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US 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
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 GRIN2B 565/4885CYP2D6 797/4885CYP2C9 297/4885

“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.