SCHEMBL1367326

SCHEMBL1367326

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.77
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
DGAT1 O75907 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
FFAR1 O14842 1/20 0.31
PDPK1 O15530 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
SCHEMBL4428858 0.94 USP30 (0.72) USP30BACE1BACE2DGAT1AAK1
SCHEMBL12715428 0.90 USP30 (0.73) USP30BACE1BACE2DGAT1AAK1
SCHEMBL124363 0.87 USP30 (1.00) USP30BACE1BACE2DGAT1AAK1
SCHEMBL16526167 0.85 USP30 (0.67) USP30BACE1BACE2DGAT1AAK1
SCHEMBL31093315 0.81 USP30 (0.61) USP30BACE1BACE2DGAT1AAK1
SCHEMBL17643639 0.79 USP30 (0.59) USP30BACE1BACE2DGAT1AAK1
SCHEMBL442120 0.78 USP30 (0.58) USP30DGAT1FFAR1
SCHEMBL799138 0.76 USP30 (0.53) USP30BACE1BACE2DGAT1AAK1
SCHEMBL152977 0.76 USP30 (0.56) USP30DGAT1FFAR1
SCHEMBL28458171 0.76 USP30 (0.56) USP30DGAT1AAK1PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410128-B2 Triazolopyridine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US disclosed
US-20110288085-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 US disclosed
EP-2307411-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-04-13 EP disclosed
US-20110077243-A1 Triazolopyridine Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
EP-2300466-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-03-30 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 (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-20110077243-A1 Triazolopyridine Compounds Useful As Kinase Inhibitors MAP3K1, MAP3K5, MAP3K8 USP30 4162/4885BACE1 3492/4885BACE2 3605/4885
US-20110288085-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP4K2, MAPKAPK2, MAP3K5 USP30 3219/4885BACE1 4191/4885BACE2 4240/4885

“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.