SCHEMBL24487224

SCHEMBL24487224

O=C(Cc1cc(=O)oc2ccccc12)CS(=O)(=O)O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ LCK P06239 2/20 0.45
▸ AKR1B1 P15121 2/20 0.45
▸ FYN P06241 1/20 0.45
▸ GRB2 P62993 1/20 0.45
▸ NQO1 P15559 1/20 0.44
▸ CYP19A1 P11511 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B3 P37058 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
SCHEMBL21533703 0.86 CA12 (0.44) CA12CA1CA9LCKAKR1B1
SCHEMBL5387597 0.81 CA12 (0.53) CA12CA1CA9NQO1CYP19A1
SCHEMBL337748 0.79 AKR1B1 (0.68) CA12CA1CA9LCKAKR1B1
SCHEMBL17844914 0.79 CA12 (0.47) CA12CA1CA9LCKAKR1B1
SCHEMBL21533658 0.78 KDM4E (0.45) CA12CA1CA9LCKAKR1B1
SCHEMBL4211621 0.78 NQO1 (0.54) CA12CA1CA9LCKAKR1B1
SCHEMBL21533751 0.76 CA12 (0.47) CA12CA1CA9NQO1CYP19A1
SCHEMBL25825536 0.75 CA12 (0.50) CA12CA1CA9LCKAKR1B1
SCHEMBL5459900 0.75 CA12 (0.61) CA12CA1CA9NQO1CYP19A1
SCHEMBL30486066 0.75 CA12 (0.61) CA12CA1CA9NQO1CYP19A1

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 CA12 959/4885CA1 2769/4885CA9 3259/4885

“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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