SCHEMBL474104

SCHEMBL474104

COC(=O)CN[C@H](C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
ACACB O00763 3/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4909924 1.00 PREP (0.40) PREPPOLBALDH1A1KMT2AMEN1
SCHEMBL474105 1.00 PREP (0.40) PREPPOLBALDH1A1KMT2AMEN1
SCHEMBL13899286 0.85 PREP (0.38) PREPALDH1A1KMT2ACA12CA1
SCHEMBL14445760 0.80 POLB (0.54) POLBALDH1A1KMT2AMEN1CA1
SCHEMBL1508406 0.78 PREP (0.42) PREPALDH1A1KMT2ACA12CA1
SCHEMBL4910148 0.78 ACACB (0.43) PREPALDH1A1KMT2AMEN1ACACB
SCHEMBL7455145 0.77 PREP (0.41) PREPALDH1A1KMT2ACA12CA1
SCHEMBL7237737 0.77 PREP (0.41) PREPALDH1A1KMT2ACA12CA1
SCHEMBL12003862 0.77 ALDH1A1 (0.50) POLBALDH1A1NPSR1CYP1A2LMNA
SCHEMBL1816436 0.77 ALDH1A1 (0.50) POLBALDH1A1NPSR1CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531810-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
US-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed
EP-1531810-A4 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2008-05-28 EP disclosed
US-20050119312-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T (US) 2005-06-02 US disclosed
EP-1531810-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-25 EP disclosed
US-6875782-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-05 US disclosed
US-20040063762-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004004655-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 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 (2 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-20040063762-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method GLP1R, ZYX, SLC5A2 PREP 4001/4885POLB 3836/4885ALDH1A1 3947/4885
US-20050119312-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method NPY4R, XDH, GPR119 PREP 3452/4885POLB 1769/4885ALDH1A1 4154/4885

“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.