SCHEMBL24486992

SCHEMBL24486992

O=C(NCc1ccc2oc(=O)c(COC(=S)NCS(=O)(=O)O)cc2c1)ON1C(=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CA12 O43570 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA7 P43166 3/20 0.32
▸ CA5B Q9Y2D0 3/20 0.32
▸ CA3 P07451 2/20 0.32
▸ CA6 P23280 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ CA5A P35218 2/20 0.32
▸ MAOA P21397 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CA4 P22748 2/20 0.31
▸ CA1 P00915 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
SCHEMBL24487168 0.84 KDM4E (0.36) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL24486884 0.84 ALDH1A1 (0.35) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL24487265 0.80 ALDH1A1 (0.38) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL24486898 0.79 HPGD (0.36) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL24486800 0.79 HPGD (0.38) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL24486896 0.78 HPGD (0.35) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL24487269 0.78 ALDH1A1 (0.37) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL24487167 0.78 KDM4E (0.38) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL24486871 0.78 ALDH1A1 (0.34) ALDH1A1MAPTHPGDPOLBKMT2A
SCHEMBL24487222 0.75 MMP2 (0.44) ALDH1A1HPGDKMT2ACA12CA2

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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 — — 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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, ST3GAL3 ALDH1A1 1650/4885MAPT 3991/4885HPGD 4074/4885

“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.

Send feedback