SCHEMBL3984875

SCHEMBL3984875

CS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(C(=O)OCc4ccccc4)CC3)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.50
GPR119 Q8TDV5 1/20 0.47
CYP2D6 P10635 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP3A4 P08684 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
CYP2C19 P33261 1/20 0.45
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
SCHEMBL4464281 0.90 GRIN2B (0.58) GRIN2BGPR119CYP2D6CYP2C9CYP3A4
SCHEMBL4061203 0.89 GRIN2B (0.48) GRIN2BGPR119CYP2D6CYP2C9CYP3A4
SCHEMBL3986213 0.85 PTGS1 (0.43) GPR119PTGS1PTGS2ACHE
SCHEMBL2883378 0.85 GPR119 (0.56) GPR119
SCHEMBL3983052 0.85 LMNA (0.46) PTGS1PTGS2ACHECA2
SCHEMBL3980600 0.84 GRIN2B (0.65) GRIN2BCYP2D6CYP2C9CYP3A4F13A1
SCHEMBL387584 0.83 GPR119 (0.60) GPR119
SCHEMBL387864 0.83 GPR119 (0.60) GPR119
SCHEMBL4451965 0.83 GRIN2B (0.68) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL3984254 0.83 ACHE (0.57) PTGS1PTGS2ACHE

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-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP claimed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
WO-2008025798-A1 PYRIDINE 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-20080103123-A1 New compounds GPR119, GPR139, GPR180 GRIN2B 483/4885GPR119 1/4885CYP2D6 835/4885

“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.