SCHEMBL3882009

SCHEMBL3882009

CC(=O)N[C@@H](C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.40
LPL P06858 2/20 0.40
ACACB O00763 10/20 0.40
ACACA Q13085 7/20 0.40
ALDH1A1 P00352 1/20 0.37
P4HB P07237 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL3882012 1.00 LIPG (0.40) LIPGLPLACACBACACAALDH1A1
SCHEMBL27181083 0.89 ALDH1A1 (0.40) LIPGLPLALDH1A1P4HB
SCHEMBL5113464 0.89 ALDH1A1 (0.40) LIPGLPLALDH1A1P4HB
SCHEMBL14014450 0.83 AAK1 (0.48) LIPGLPL
SCHEMBL5106944 0.83 AAK1 (0.48) LIPGLPL
SCHEMBL12020859 0.83 AAK1 (0.48) LIPGLPL
SCHEMBL29723680 0.83 LIPG (0.41) LIPGLPLACACBALDH1A1
SCHEMBL5106947 0.83 AAK1 (0.48) LIPGLPL
SCHEMBL1658478 0.79 PTGS1 (0.48) LIPGLPLALDH1A1P4HB
SCHEMBL18241160 0.78 PTGS1 (0.50) LIPGLPLP4HBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557211-B2 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20060128741-A1 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-06-15 US disclosed
WO-2006053166-A1 8H-IMIDAZO[4,5-D]THIAZOLO[4,5-B]PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-18 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-20060128741-A1 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same IL4, IL5, CYP4B1 LIPG 4299/4885LPL 3671/4885ACACB 2097/4885

“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.