SCHEMBL22337968

SCHEMBL22337968

C/C(=N\OCC(=O)O)C(C)(C)CI

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.33
TSHR P16473 1/20 0.32
CTH P32929 1/20 0.32
CBS P35520 1/20 0.32
THPO P40225 1/20 0.32
THRB P10828 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
SCHEMBL20755257 0.84 KDM4E (0.34) THPO
SCHEMBL20744883 0.83 TSHR (0.33) GPR55TSHRCTHCBSTHPO
SCHEMBL20744886 0.83 TSHR (0.33) GPR55TSHRCTHCBSTHPO
SCHEMBL20755618 0.82 MGAM (0.33) TSHR
SCHEMBL20745216 0.80 GPR55 (0.36) GPR55TSHRCTHCBSTHPO
SCHEMBL20745215 0.80 GPR55 (0.36) GPR55TSHRCTHCBSTHPO
SCHEMBL22337957 0.80 GPR55 (0.35) GPR55TSHRCTHCBSTHPO
SCHEMBL22337953 0.79 GPR55 (0.31) GPR55TSHRCTHCBSTHPO
SCHEMBL20755256 0.74
SCHEMBL20744888 0.74 HPGD (0.42)

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-20200255363-A1 Directed Beta-C(sp3)–H Iodination and Arylation of Ketones THE SCRIPPS RESEARCH INSTITUTE 2020-08-13 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-20200255363-A1 Directed Beta-C(sp3)–H Iodination and Arylation of Ketones BCAT1, AOC3, SPIN3 GPR55 4340/4885TSHR 797/4885CTH 111/4885

“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.