SCHEMBL21172140

SCHEMBL21172140

O=c1oc2ccccc2cc1COC(=S)NCCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.44
MAOA P21397 2/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
ADAM17 P78536 1/20 0.43
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
LGALS3 P17931 2/20 0.39
LGALS9 O00182 1/20 0.39
LGALS8 O00214 1/20 0.39
LGALS2 P05162 1/20 0.39
LGALS1 P09382 1/20 0.39

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
SCHEMBL24487222 0.89 MMP2 (0.44) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL21171768 0.88 MMP2 (0.49) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL21171787 0.83 MAOB (0.44) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL21172143 0.82 MAOB (0.51) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL21171899 0.81 AKR1B10 (0.43) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL21171757 0.81 MAOB (0.47) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL21171973 0.81 KDM4E (0.47) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL24487169 0.79 MMP2 (0.52) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL24487275 0.79 MAOB (0.47) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL21171763 0.78 MMP2 (0.48) MAOBMAOAMMP2MMP9ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION 2022-12-29 US disclosed
US-11353461-B2 Methods of enhancing MS detection of tagged glycans WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 US disclosed
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
US-20190219587-A1 METHODS OF ENHANCING MS DETECTION OF TAGGED GLYCANS WATERS TECHNOLOGIES CORPORATION 2019-07-18 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 (4 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 MAOB 1517/4885MAOA 2214/4885MMP2 790/4885
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT MAOB 280/4885MAOA 445/4885MMP2 3264/4885
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT MAOB 280/4885MAOA 445/4885MMP2 3264/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT MAOB 280/4885MAOA 445/4885MMP2 3264/4885

“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.