SCHEMBL17258286

SCHEMBL17258286

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.45
CTSS P25774 4/20 0.44
CTSK P43235 4/20 0.44
ROCK1 Q13464 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
TACR1 P25103 2/20 0.37
PTPN1 P18031 1/20 0.37
SCN9A Q15858 4/20 0.37
SCN10A Q9Y5Y9 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL17258271 1.00 AAK1 (0.45) AAK1CTSSCTSKROCK1PRMT5
SCHEMBL25528857 1.00 AAK1 (0.45) AAK1CTSSCTSKROCK1PRMT5
SCHEMBL17002747 0.92 CTSS (0.46) AAK1CTSSCTSKROCK1PRMT5
SCHEMBL21732909 0.89 AAK1 (0.46) AAK1CTSSCTSKROCK1PRMT5
SCHEMBL21732896 0.89 AAK1 (0.46) AAK1CTSSCTSKROCK1PRMT5
SCHEMBL23521565 0.89 AAK1 (0.46) AAK1CTSSCTSKROCK1PRMT5
SCHEMBL17258280 0.88 AAK1 (0.45) AAK1CTSSCTSKPRMT5WDR77
SCHEMBL17258259 0.88 AAK1 (0.45) AAK1CTSSCTSKPRMT5WDR77
SCHEMBL17258257 0.88 AAK1 (0.45) AAK1CTSSCTSKPRMT5WDR77
SCHEMBL17258277 0.88 AAK1 (0.45) AAK1CTSSCTSKPRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329564-A1 CHIRAL 4-BORONOPHENYLALANINE (BPA) DERIVATIVE AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING 18F-LABELED BPA USING SAID DERIVATIVE OSAKA PREFECTURE UNIVERSITY PUBLIC CORPORATION (JP) 2015-11-19 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 (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-20150329564-A1 CHIRAL 4-BORONOPHENYLALANINE (BPA) DERIVATIVE AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING 18F-LABELED BPA USING SAID DERIVATIVE FFAR3, BRS3, FSHR AAK1 2294/4885CTSS 4468/4885CTSK 4360/4885

“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.