SCHEMBL5158291

SCHEMBL5158291

COC(=O)CCc1cnc([C@@H]2C[C@H](N3C[C@@H](C)O[C@@H](C)C3)CN2C(=O)OC(C)(C)C)s1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.33
POLB P06746 1/20 0.32
HDAC1 Q13547 1/20 0.31

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
SCHEMBL14371782 0.90 PARP1 (0.32) GPR119HDAC1
SCHEMBL14371748 0.89 OPRK1 (0.33) GPR119HDAC1
SCHEMBL14371803 0.88 GPR119 (0.32) GPR119HDAC1
SCHEMBL14371814 0.86 CCR2 (0.32) GPR119
SCHEMBL5160579 0.85 CYP1A2 (0.37) GPR119POLBHDAC1
SCHEMBL14371822 0.84
SCHEMBL14371698 0.84 UCHL1 (0.37) GPR119
SCHEMBL14371716 0.84 UCHL1 (0.37) GPR119
SCHEMBL5161383 0.84 DPP4 (0.35) GPR119
SCHEMBL5160164 0.81 GPR119 (0.31) GPR119

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-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 GPR119 341/4885POLB 3774/4885HDAC1 239/4885

“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.