SCHEMBL25826104

SCHEMBL25826104

CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(N)O2)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
USP30 Q70CQ3 2/20 0.41
SCD O00767 1/20 0.36
DGAT1 O75907 1/20 0.35
ROCK2 O75116 1/20 0.34
NR1H2 P55055 1/20 0.33
AAK1 Q2M2I8 3/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL141413 0.91 FFAR1 (0.52) FFAR1USP30SCDDGAT1ROCK2
SCHEMBL19341509 0.86 FFAR1 (0.44) FFAR1USP30SCDDGAT1ROCK2
SCHEMBL18202880 0.84 FFAR1 (0.43) FFAR1USP30SCDDGAT1ROCK2
SCHEMBL20733996 0.84 FFAR1 (0.45) FFAR1USP30SCDDGAT1ROCK2
SCHEMBL19672040 0.83 FFAR1 (0.44) FFAR1USP30SCDDGAT1ROCK2
SCHEMBL19964091 0.82 FFAR1 (0.40) FFAR1USP30SCDROCK2NR1H2
SCHEMBL23360896 0.81 FFAR1 (0.40) FFAR1USP30SCDDGAT1ROCK2
SCHEMBL22334710 0.80 FFAR1 (0.42) FFAR1USP30SCDDGAT1ROCK2
SCHEMBL12510896 0.80 FFAR1 (0.36) FFAR1USP30SCDROCK2NR1H2
SCHEMBL23349424 0.79 SCD (0.38) FFAR1USP30SCDROCK2NR1H2

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-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 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-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A FFAR1 2045/4885USP30 3003/4885SCD 2707/4885

“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.