SCHEMBL23080271

SCHEMBL23080271

CO[C@H]1[C@H](O)[C@@H](CNS(N)(=O)=O)O[C@H]1n1cnc2c(CC(C)C)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADORA3 P0DMS8 2/20 0.47
LARS1 Q9P2J5 1/20 0.43

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
SCHEMBL1797504 0.88 LARS1 (0.49) MEN1KMT2ALARS1
SCHEMBL18630612 0.88 LARS1 (0.49) MEN1KMT2ALARS1
SCHEMBL1799778 0.78 LARS1 (0.58) LARS1
SCHEMBL7102573 0.75 DPP4 (0.69) MEN1KMT2AADORA3
SCHEMBL1797391 0.73 SLC29A1 (0.56) ADORA3
SCHEMBL1800307 0.73 CA1 (0.55) MEN1KMT2AADORA3
SCHEMBL12617951 0.73 CA1 (0.55) MEN1KMT2AADORA3
SCHEMBL5341890 0.73 CA1 (0.55) MEN1KMT2AADORA3
SCHEMBL1795761 0.72 SLC29A1 (0.76)
SCHEMBL658713 0.71 MEN1 (0.66) MEN1KMT2AADORA3

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-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 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-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 MEN1 2363/4885KMT2A 2611/4885ADORA3 3584/4885

“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.