SCHEMBL10164508

SCHEMBL10164508

CCCN(CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
USP30 Q70CQ3 2/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
AAK1 Q2M2I8 2/20 0.35
DGAT1 O75907 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
LPL P06858 4/20 0.30
LIPG Q9Y5X9 4/20 0.30
PDK2 Q15119 1/20 0.30
UCHL1 P09936 1/20 0.30
CPB2 Q96IY4 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
SCHEMBL10202335 0.90 FFAR1 (0.48) FFAR1USP30BACE1BACE2AAK1
SCHEMBL11908458 0.87 FFAR1 (0.54) FFAR1USP30BACE1BACE2AAK1
SCHEMBL25826382 0.80 FFAR1 (0.46) FFAR1USP30BACE1BACE2AAK1
SCHEMBL19082801 0.79 FFAR1 (0.55) FFAR1USP30BACE1BACE2AAK1
SCHEMBL10164509 0.79 HCRTR1 (0.36) HCRTR1HCRTR2L3MBTL1CPB2
SCHEMBL1725558 0.79 FFAR1 (0.57) FFAR1USP30BACE1BACE2AAK1
SCHEMBL26598780 0.78 FFAR1 (0.60) FFAR1USP30BACE1BACE2AAK1
SCHEMBL29663427 0.77 FFAR1 (0.57) FFAR1USP30DGAT1HCRTR1HCRTR2
SCHEMBL844227 0.76 FFAR1 (0.60) FFAR1USP30BACE1BACE2AAK1
SCHEMBL13858662 0.76 FFAR1 (0.54) FFAR1USP30AAK1DGAT1PRMT5

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-8846927-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-09-30 US disclosed
US-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2013-06-27 US disclosed
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 US disclosed
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2012-05-03 US 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-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET FFAR1 2058/4885USP30 2983/4885BACE1 2699/4885
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET FFAR1 2058/4885USP30 2983/4885BACE1 2699/4885

“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.