SCHEMBL21171973

SCHEMBL21171973

O=c1oc2ccccc2cc1COC(=S)NCCOP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 5/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 4/20 0.42
MAOA P21397 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
ADAM17 P78536 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 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
SCHEMBL24486985 0.89 MMP2 (0.43) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL21172142 0.88 KDM4E (0.51) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL21171899 0.85 AKR1B10 (0.43) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL21533672 0.84 MAOB (0.48) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL21171787 0.81 MAOB (0.44) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL24818334 0.81 MEN1 (0.42) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL21172140 0.81 MAOB (0.44) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL21171806 0.81 KDM4E (0.49) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL21171797 0.80 MMP2 (0.50) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL24486795 0.79 MMP2 (0.49) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1

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 5 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-11353461-B2 Methods of enhancing MS detection of tagged glycans 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 (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 KDM4E 2975/4885HSD17B10 4361/4885ALDH1A1 1650/4885
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT KDM4E 3466/4885HSD17B10 2541/4885ALDH1A1 264/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT KDM4E 3466/4885HSD17B10 2541/4885ALDH1A1 264/4885

“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.