SCHEMBL22337986

SCHEMBL22337986

CCC(C)(C)/C(C)=N/OCC(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TSHR P16473 3/20 0.32
HSD17B10 Q99714 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
SCHEMBL20755618 0.84 MGAM (0.33) MGAMGAASIMGAM2TSHR
SCHEMBL20744883 0.81 TSHR (0.33) TSHR
SCHEMBL20744886 0.81 TSHR (0.33) TSHR
SCHEMBL6980204 0.74 GAA (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL20755930 0.73 HPGD (0.40)
SCHEMBL20755811 0.72 HPGD (0.39) GAATSHR
SCHEMBL1267955 0.72 ALDH1A1 (0.32) TSHR
SCHEMBL22337997 0.70 TSHR (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL2607778 0.69 TET2 (0.38) MGAMGAASIMGAM2TSHR
SCHEMBL10864918 0.69 TSHR (0.40) MGAMGAASIMGAM2TSHR

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 MGAM 3257/4885GAA 3962/4885SI 1754/4885

“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.