SCHEMBL8733377

SCHEMBL8733377

O=P(O)(O)CCCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
S1PR3 Q99500 3/20 0.49
CETP P11597 3/20 0.47
S1PR2 O95136 1/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
PDPK1 O15530 1/20 0.44
MTOR P42345 1/20 0.44
ALPG P10696 1/20 0.44
PTK2B Q14289 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
TEAD3 Q99594 1/20 0.43

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
SCHEMBL4068237 0.93 CETP (0.53) TSHRS1PR3CETPS1PR2S1PR4
SCHEMBL578339 0.93 CETP (0.53) TSHRS1PR3CETPS1PR2S1PR4
SCHEMBL578336 0.92 CETP (0.51) TSHRS1PR3CETPS1PR2S1PR4
SCHEMBL2333456 0.89 TSHR (0.55) TSHRS1PR3CETPS1PR2S1PR4
SCHEMBL20958153 0.86 TSHR (0.52) TSHRCETPPTPN2PTPN1PTPN6
SCHEMBL20958119 0.86 TSHR (0.52) TSHRCETPPTPN2PTPN1PTPN6
SCHEMBL8727266 0.85 TSHR (0.49) TSHRS1PR3CETPPTPN2PTPN1
SCHEMBL24486876 0.84 S1PR3 (0.54) TSHRS1PR3CETPS1PR2S1PR4
SCHEMBL26985983 0.83 S1PR3 (0.41) TSHRS1PR3CETPS1PR2S1PR4
SCHEMBL31087806 0.82 TSHR (0.48) TSHRCETPTDP1L3MBTL1MEN1

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
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
EP-0701561-B1 DESOXYAZAPHOSPHOLIPID DERIVATIVES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2 MENARINI LAB (ES) 1998-08-19 EP disclosed
EP-0701561-A1 DESOXYAZAPHOSPHOLIPID DERIVATIVES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2 LABORATORIOS MENARINI S.A. (ES) 1996-03-20 EP disclosed
WO-1994028004-A1 DESOXYAZAPHOSPHOLIPID DERIVATIVES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2 LABORATORIOS MENARINI S.A. (ES) 1994-12-08 WO 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 TSHR 973/4885S1PR3 600/4885CETP 3177/4885
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT TSHR 1800/4885S1PR3 2204/4885CETP 3676/4885
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT TSHR 1800/4885S1PR3 2204/4885CETP 3676/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT TSHR 1800/4885S1PR3 2204/4885CETP 3676/4885

“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.