SCHEMBL21533751

SCHEMBL21533751

O=c1cc(CCCS(=O)(=O)O)c2ccccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
ERAP1 Q9NZ08 1/20 0.47
HSD17B3 P37058 5/20 0.46
NQO1 P15559 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CYP19A1 P11511 1/20 0.44
RECQL P46063 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
KCNA3 P22001 1/20 0.41
PRKDC P78527 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 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
SCHEMBL5387597 0.82 CA12 (0.53) CA12CA1CA9ALDH1A1HSD17B3
SCHEMBL24523033 0.82 ALDH1A1 (0.58) CA12CA1CA9ALDH1A1GAA
SCHEMBL21171711 0.80 NPC1 (0.46) CA12CA1CA9ALDH1A1GAA
SCHEMBL21172136 0.80 HSD17B3 (0.44) CA12CA1CA9ALDH1A1HSD17B3
SCHEMBL21533685 0.80 HSD17B3 (0.45) CA12CA1CA9ALDH1A1HSD17B3
SCHEMBL21533703 0.80 CA12 (0.44) CA12CA1CA9ALDH1A1GAA
SCHEMBL4212022 0.79 NQO1 (0.54) CA12CA1CA9ALDH1A1GAA
SCHEMBL29046353 0.79 NQO1 (0.50) CA12CA1CA9ALDH1A1GAA
SCHEMBL295058 0.79 NQO1 (0.50) CA12CA1CA9ALDH1A1GAA
SCHEMBL29794226 0.79 NQO1 (0.50) CA12CA1CA9ALDH1A1GAA

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 3 patents. 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
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2021-07-13 US disclosed
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2019-10-31 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 (3 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 CA12 959/4885CA1 2769/4885CA9 3259/4885
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT CA12 1131/4885CA1 3311/4885CA9 2835/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT CA12 1131/4885CA1 3311/4885CA9 2835/4885

“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.