SCHEMBL5160579

SCHEMBL5160579

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
PIK3CD O00329 1/20 0.33
RIPK1 Q13546 1/20 0.32
GPR119 Q8TDV5 2/20 0.31
RPS6KB2 Q9UBS0 1/20 0.30
ALDH1A1 P00352 2/20 0.30
HDAC1 Q13547 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL14371716 0.89 UCHL1 (0.37) PIK3CDGPR119RPS6KB2
SCHEMBL5161383 0.89 DPP4 (0.35) GPR119RPS6KB2
SCHEMBL14371698 0.89 UCHL1 (0.37) PIK3CDGPR119RPS6KB2
SCHEMBL5160164 0.87 GPR119 (0.31) GPR119
SCHEMBL5161466 0.86 DEGS1 (0.32) GPR119
SCHEMBL5158624 0.86 UCHL1 (0.32)
SCHEMBL14371782 0.85 PARP1 (0.32) PIK3CDGPR119HDAC1
SCHEMBL14371748 0.85 OPRK1 (0.33) GPR119ALDH1A1HDAC1
SCHEMBL14371739 0.85 GCK (0.32) GPR119ALDH1A1
SCHEMBL14608515 0.85 CYP1A2 (0.35) CYP1A2POLBCYP3A4CYP2C19PIK3CD

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 CYP1A2 2828/4885POLB 3774/4885CYP3A4 475/4885

“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.