SCHEMBL24454404

SCHEMBL24454404

CC(=O)NC1C(C)OC(CN)C(O)C1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.39
▸ CA9 Q16790 6/20 0.36
▸ CA1 P00915 5/20 0.36
▸ CA2 P00918 5/20 0.36
▸ CA12 O43570 4/20 0.36
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ THRB P10828 1/20 0.34
▸ CD69 Q07108 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MMP12 P39900 2/20 0.31
▸ MMP9 P14780 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
SCHEMBL24453808 0.89 LMNA (0.41) MAPK1CA9CA1CA2CA12
SCHEMBL24454381 0.87 MAPK1 (0.51) MAPK1ALDH1A1THRBCD69
SCHEMBL12899987 0.84 ALDH1A1 (0.37) MAPK1CA9CA1CA2ALDH1A1
SCHEMBL18854303 0.82 ALDH1A1 (0.42) MAPK1CA9CA1CA2ALDH1A1
SCHEMBL24454398 0.81 MAPK1 (0.36) MAPK1CA9CA1CA2CA12
SCHEMBL18854302 0.78 MAPK1 (0.33) MAPK1ALDH1A1THRBMMP12MMP9
SCHEMBL15763314 0.78 LMNA (0.42) MAPK1CA9CA1CA2CA12
SCHEMBL18805813 0.78 LMNA (0.42) MAPK1CA9CA1CA2CA12
SCHEMBL24453797 0.78 ALDH1A1 (0.35) MAPK1CA9CA1CA2ALDH1A1
SCHEMBL22559716 0.76 LMNA (0.38) CA9CA1CA2CA12LMNA

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-20220162252-A1 SYNTHESIS OF 6-AZIDO-6-DEOXY-2-N-ACETYL-HEXOSAMINE-NUCLEOSIDE DIPHOSPHATE SYNAFFIX B.V. (NL) 2022-05-26 — — 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-20220162252-A1 SYNTHESIS OF 6-AZIDO-6-DEOXY-2-N-ACETYL-HEXOSAMINE-NUCLEOSIDE DIPHOSPHATE FUT6, NANS, B3GNT2 MAPK1 3963/4885CA9 2065/4885CA1 3811/4885

“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.

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