SCHEMBL23640100

SCHEMBL23640100

CC(=O)NC1C(O)C(O)C(COS(=O)(=O)O)OC1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ BDNF P23560 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ PTN P21246 2/20 0.40
▸ MDK P21741 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CD69 Q07108 1/20 0.35
▸ MMP12 P39900 2/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ HPSE Q9Y251 2/20 0.35

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
SCHEMBL17689074 0.85 MAPK1 (0.45) ALDH1A1THRBBDNFMAPK1PTN
SCHEMBL30089326 0.85 MAPK1 (0.45) ALDH1A1THRBBDNFMAPK1PTN
SCHEMBL15965653 0.85 MAPK1 (0.45) ALDH1A1THRBBDNFMAPK1PTN
SCHEMBL23631128 0.85 MAPK1 (0.45) ALDH1A1THRBBDNFMAPK1PTN
SCHEMBL15966272 0.85 MAPK1 (0.45) ALDH1A1THRBBDNFMAPK1PTN
SCHEMBL22362645 0.85 MAPK1 (0.45) ALDH1A1THRBBDNFMAPK1PTN
SCHEMBL15966248 0.85 MAPK1 (0.45) ALDH1A1THRBBDNFMAPK1PTN
SCHEMBL20474503 0.85 MAPK1 (0.45) ALDH1A1THRBBDNFMAPK1PTN
SCHEMBL16566075 0.84 ALDH1A1 (0.40) ALDH1A1THRBBDNFMAPK1PTN
SCHEMBL16998721 0.84 ALDH1A1 (0.55) ALDH1A1THRBBDNFMAPK1PTN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203082-A1 REAGENTS AND METHODS FOR SCREENING MPS I, II, IIIA, IIIB, IVA, VI, AND VII UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2023-06-29 — — US disclosed
US-20210214607-A1 LONG WAVELENGTH EMITTING CHEMILUMINESCENT PROBES NEMIS TECHNOLOGIES AG (CH) 2021-07-15 — — 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 (2 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-20230203082-A1 REAGENTS AND METHODS FOR SCREENING MPS I, II, IIIA, IIIB, IVA, VI, AND VII GAA, MAN2B1, CLN6 ALDH1A1 1851/4885THRB 2967/4885BDNF 4504/4885
US-20210214607-A1 LONG WAVELENGTH EMITTING CHEMILUMINESCENT PROBES VEGFA, GUSB, NR2E3 ALDH1A1 297/4885THRB 2211/4885BDNF 4009/4885

“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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