SCHEMBL4457043

SCHEMBL4457043

CC(C)(C)CC(=O)N1CCC(CNc2ncc(-c3ccc(S(C)(=O)=O)cc3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.47
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
VCP P55072 1/20 0.43
GRIN2B Q13224 3/20 0.43
PTGS2 P35354 2/20 0.42
AOC2 O75106 1/20 0.42
PTGS1 P23219 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL4452073 0.87 VCP (0.49) GPR119CKS1BSKP1SKP2VCP
SCHEMBL5077936 0.85 GPR119 (0.63) GPR119
SCHEMBL4455848 0.83 GRIN2B (0.52) GPR119GRIN2B
SCHEMBL4460035 0.82 GPR119 (0.54) GPR119GRIN2B
SCHEMBL4451965 0.79 GRIN2B (0.68) GRIN2B
SCHEMBL4465990 0.77 PTGS2 (0.47) VCPPTGS2PTGS1JAK2JAK1
SCHEMBL3982989 0.76 KDM4E (0.48) GPR119CKS1BSKP1SKP2PTGS2
SCHEMBL3978507 0.76 USP30 (0.47) GPR119CKS1BSKP1SKP2VCP
SCHEMBL3983755 0.75 KDM4E (0.43) GPR119CKS1BSKP1SKP2VCP
SCHEMBL5083434 0.75 KDM4E (0.52) GPR119CKS1BSKP1SKP2VCP

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 7 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
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 GPR119 1/4885CKS1B 2348/4885SKP1 3210/4885

“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.