SCHEMBL24453797

SCHEMBL24453797

CC(=O)NC1C(C)OC(CN)C(C)C1O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ FUCA1 P04066 2/20 0.33
▸ ASGR1 P07306 1/20 0.32
▸ OGA O60502 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CD69 Q07108 1/20 0.30
▸ PYGB P11216 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL12899987 0.90 ALDH1A1 (0.37) ALDH1A1THRBMAPK1FUCA1ASGR1
SCHEMBL18854303 0.89 ALDH1A1 (0.42) ALDH1A1THRBMAPK1FUCA1OGA
SCHEMBL17117588 0.85 ALDH1A1 (0.45) ALDH1A1THRBMAPK1OGACA1
SCHEMBL18333522 0.85 ALDH1A1 (0.45) ALDH1A1THRBMAPK1OGACA1
SCHEMBL15905650 0.85 ALDH1A1 (0.45) ALDH1A1THRBMAPK1OGACA1
SCHEMBL24454399 0.85 ALDH1A1 (0.45) ALDH1A1THRBMAPK1OGACA1
SCHEMBL20045968 0.85 ALDH1A1 (0.45) ALDH1A1THRBMAPK1OGACA1
SCHEMBL15142882 0.85 ALDH1A1 (0.45) ALDH1A1THRBMAPK1OGACA1
SCHEMBL16359157 0.85 ALDH1A1 (0.45) ALDH1A1THRBMAPK1OGACA1
SCHEMBL20045985 0.85 ALDH1A1 (0.45) ALDH1A1THRBMAPK1OGACA1

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 ALDH1A1 801/4885THRB 3854/4885MAPK1 3963/4885

“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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