SCHEMBL26704607

SCHEMBL26704607

CC(C)(C)c1ccc(ONS(C)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
ALDH1A1 P00352 6/20 0.47
GRIA4 P48058 1/20 0.44
MAPT P10636 4/20 0.42
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL26704093 0.78 ALDH1A1 (0.50) CA1CA2CA9ALDH1A1MAPT
SCHEMBL4565158 0.75 PGR (0.50) CA1CA2CA9MAPTMAPK1
SCHEMBL22100452 0.74 RAB9A (0.50) CA1CA2CA9ALDH1A1MAPT
SCHEMBL2990592 0.74 CA1 (0.68) CA1CA2CA9ALDH1A1MAPT
SCHEMBL31261823 0.73 MAPT (0.50) CA1CA2CA9ALDH1A1MAPT
SCHEMBL25887092 0.73 ALDH1A1 (0.48) CA1CA2CA9ALDH1A1MAPT
SCHEMBL5269347 0.71 CA2 (0.70) CA1CA2CA9ALDH1A1MAPT
SCHEMBL29013343 0.71 CA1 (0.44) CA1CA2CA9ALDH1A1MAPT
SCHEMBL17069871 0.70 ALDH1A1 (0.60) ALDH1A1GRIA4MAPTNPC1RAB9A
SCHEMBL28395229 0.70 CA1 (0.51) CA1CA2CA9ALDH1A1MAPT

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-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 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-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 CA1 4814/4885CA2 1860/4885CA9 2216/4885

“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.