SCHEMBL3984572

SCHEMBL3984572

NC(=O)CNC(=O)c1[c]cccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.42
HPGDS O60760 2/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM1A O60341 2/20 0.34
GAA P10253 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SPHK1 Q9NYA1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7301446 0.84 MME (0.44) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL4904390 0.80 GAA (0.39) CA1CA2CA9GAAKDM4E
SCHEMBL28037255 0.79 MAOB (0.45) SPHK2KDM4ECYP1A2TSHR
SCHEMBL97054 0.79 KMT2A (0.43) CA1CA9GAAKDM4EMAPT
SCHEMBL1900364 0.77 KMT2A (0.54) GAASMN1; SMN2TSHRHPGD
SCHEMBL1416028 0.77 ALDH1A1 (0.45) SPHK2SPHK1KDM4EMAPTTSHR
SCHEMBL28159346 0.76 PTPRC (0.49) MAPT
SCHEMBL3982704 0.76 TSHR (0.46) GAASMN1; SMN2KDM4ETSHRHPGD
SCHEMBL3764584 0.75 CTSL (0.43)
SCHEMBL314828 0.75 NAMPT (0.40) MAPTTSHR

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-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
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 SPHK2 3634/4885HPGDS 2571/4885CA12 505/4885

“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.