SCHEMBL4456604

SCHEMBL4456604

O=C(O)N1CCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
ALOX12 P18054 1/20 0.46
HPGD P15428 1/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.42

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
SCHEMBL3984165 0.89 POLB (0.48) POLBMEN1KMT2AGAAKDM4E
SCHEMBL14191525 0.87 GPR119 (0.47) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL4457000 0.84 PTGS2 (0.44)
SCHEMBL4452034 0.84 CA2 (0.44) MEN1KMT2A
SCHEMBL4457549 0.84 HRH3 (0.47) POLBGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL4461516 0.82 NPY2R (0.40) KDM4EALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL4466641 0.82 KCNH2 (0.40)
SCHEMBL4455518 0.79 GRIN2B (0.46)
SCHEMBL4456659 0.78 PARP15 (0.48)
SCHEMBL4457890 0.78 CNR1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US 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 POLB 4644/4885MEN1 2738/4885KMT2A 4781/4885

“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.