SCHEMBL7920076

SCHEMBL7920076

CC(=O)NCCCP(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
MAPK1 P28482 1/20 0.58
HIF1A Q16665 1/20 0.58
S1PR2 O95136 5/20 0.48
S1PR4 O95977 5/20 0.48
S1PR1 P21453 5/20 0.48
S1PR3 Q99500 5/20 0.48
S1PR5 Q9H228 1/20 0.48
PAOX Q6QHF9 3/20 0.48
TYMS P04818 1/20 0.48
ADRA1A P35348 1/20 0.47
LPAR1 Q92633 1/20 0.46
LPAR3 Q9UBY5 3/20 0.43
LPAR2 Q9HBW0 1/20 0.43
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MMP2 P08253 1/20 0.42

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
SCHEMBL17753882 0.93 KDM4E (0.62) KDM4EMAPK1HIF1AS1PR2S1PR4
SCHEMBL9543384 0.86 PGK1 (0.50) KDM4EMAPK1HIF1AS1PR2S1PR4
SCHEMBL9471815 0.82 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL4759679 0.81 KDM4E (0.52) KDM4EMAPK1HIF1AS1PR2S1PR4
SCHEMBL17758576 0.80 S1PR2 (0.47) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL17750405 0.80 PAOX (0.45) KDM4EMAPK1HIF1AS1PR2S1PR4
SCHEMBL432614 0.79 S1PR2 (0.43) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL12311327 0.78 MEN1 (0.64) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL17758575 0.78 EPHX1 (0.53) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL12070762 0.78 KDM4E (0.75) KDM4EMAPK1HIF1APAOXADRA1A

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 9 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
WO-2021263039-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2021-12-30 WO 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
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2016-05-19 US disclosed
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2016-05-19 US disclosed
US-6265437-B1 ALCOHOLISM LIPHA (FR) 2001-07-24 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-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT KDM4E 3466/4885MAPK1 1403/4885HIF1A 3056/4885
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT KDM4E 3466/4885MAPK1 1403/4885HIF1A 3056/4885
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 KDM4E 4411/4885MAPK1 1038/4885HIF1A 4382/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT KDM4E 3466/4885MAPK1 1403/4885HIF1A 3056/4885

“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.