SCHEMBL21172147

SCHEMBL21172147

N=C(N)NCCCOC(=O)OCc1cc2ccccc2oc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
ADAM17 P78536 1/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
MAOB P27338 6/20 0.43
AKR1B10 O60218 1/20 0.43
MAOA P21397 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 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
SCHEMBL21533708 0.87 MMP2 (0.48) MMP2MMP9ADAM17KDM4EALDH1A1
SCHEMBL24820151 0.82 NPC1 (0.42) KDM4EALDH1A1HSD17B10KMT2ASMN1; SMN2
SCHEMBL21171787 0.81 MAOB (0.44) MMP2MMP9ADAM17KDM4EALDH1A1
SCHEMBL21171759 0.79 MMP2 (0.46) MMP2MMP9ADAM17KDM4EALDH1A1
SCHEMBL24486804 0.78 MMP2 (0.43) MMP2MMP9ADAM17KDM4EALDH1A1
SCHEMBL21171786 0.78 MAOB (0.51) MMP2MMP9ADAM17KDM4EALDH1A1
SCHEMBL21171763 0.77 MMP2 (0.48) MMP2MMP9ADAM17KDM4EALDH1A1
SCHEMBL21171817 0.77 TGM2 (0.43) KDM4ESMN1; SMN2HTTHPGDTSHR
SCHEMBL24486991 0.76 KMT2A (0.48) MMP2MMP9ADAM17KDM4EALDH1A1
SCHEMBL21171797 0.76 MMP2 (0.50) MMP2MMP9ADAM17KDM4EALDH1A1

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 MMP2 790/4885MMP9 2681/4885ADAM17 1176/4885
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT MMP2 3264/4885MMP9 2873/4885ADAM17 1822/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT MMP2 3264/4885MMP9 2873/4885ADAM17 1822/4885

“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.