SCHEMBL21172146

SCHEMBL21172146

O=c1cc(CNCCOP(=O)(O)O)c2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RECQL P46063 1/20 0.43
HSD17B3 P37058 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
ACHE P22303 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP19A1 P11511 1/20 0.39
NQO1 P15559 1/20 0.39
RAB9A P51151 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL21172148 0.85 BCHE (0.44) RECQLALDH1A1ACHEHPGDHSD17B10
SCHEMBL21171977 0.81 ALDH1A1 (0.45) NPC1RECQLHSD17B3ALDH1A1CA12
SCHEMBL21533753 0.81 CA12 (0.44) NPC1RECQLHSD17B3ALDH1A1CA12
SCHEMBL21533688 0.81 KMT2A (0.45) NPC1RECQLHSD17B3ALDH1A1HPGD
SCHEMBL21533752 0.80 HSD17B3 (0.44) NPC1RECQLHSD17B3ALDH1A1CA12
SCHEMBL24818334 0.80 MEN1 (0.42) NPC1RECQLHSD17B3ALDH1A1CA12
SCHEMBL21171981 0.79 HSD17B3 (0.43) RECQLHSD17B3ALDH1A1CA12CA1
SCHEMBL21171753 0.78 CA12 (0.41) ALDH1A1CA12CA1CA9HPGD
SCHEMBL24487012 0.77 KDM4E (0.42) RECQLALDH1A1CA12CA1CA9
SCHEMBL21533671 0.77 KDM4E (0.44) HSD17B3ALDH1A1CA12CA1CA9

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 4 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-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-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 (2 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 NPC1 3426/4885RECQL 2746/4885HSD17B3 3936/4885
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT NPC1 3919/4885RECQL 4851/4885HSD17B3 4002/4885

“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.