SCHEMBL744283

SCHEMBL744283

Nc1ccc(C(O)P(=O)(O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.59
PGK2 P07205 5/20 0.59
GRM4 Q14833 3/20 0.51
GRM8 O00222 2/20 0.51
GRM7 Q14831 1/20 0.51
PTPN5 P54829 2/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
FDPS P14324 1/20 0.39
PTPRC P08575 1/20 0.37
SRC P12931 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ACP3 P15309 1/20 0.36
GRM6 O15303 1/20 0.36

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
SCHEMBL11208020 0.88 PGK1 (0.71) PGK1PGK2PTPN5PTPRCSRC
SCHEMBL11079769 0.82 PGK1 (0.59) PGK1PGK2PTPN5MEN1KMT2A
SCHEMBL744205 0.79 SRC (0.60) PGK1PGK2GRM4GRM8GRM7
SCHEMBL16931008 0.79 ACP3 (0.57) PGK1PGK2GRM4GRM8GRM7
SCHEMBL5743524 0.77 PGK1 (0.59) PGK1PGK2MEN1KMT2A
SCHEMBL11080198 0.77 PGK1 (0.59) PGK1PGK2MEN1KMT2A
SCHEMBL11078378 0.77 PGK1 (0.59) PGK1PGK2PTPN5MEN1KMT2A
(4-Chlorophenyl)(Hydroxy)Methylphosphonic Acid SCHEMBL292744 0.77 PGK1 (0.59) PGK1PGK2PTPN5MAPT
SCHEMBL11082211 0.77 PGK1 (0.59) PGK1PGK2PTPN5KMT2A
(4-Chlorophenyl)(Hydroxy)Methylphosphonic Acid SCHEMBL5746553 0.77 PGK1 (0.59) PGK1PGK2PTPN5MAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170306157-A1 Modified Colorants and Inkjet Ink Compositions Comprising Modified Colorants CABOT CORP (US) 2017-10-26 US disclosed
US-9732227-B2 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION (US) 2017-08-15 US disclosed
EP-3040382-A1 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS Cabot Corporation (US) 2016-07-06 EP disclosed
US-20160075880-A1 Modified Colorants and Inkjet Ink Compositions Comprising Modified Colorants CABOT CORPORATION 2016-03-17 US disclosed
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
US-8858695-B2 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION (US) 2014-10-14 US disclosed
CN-101379143-B Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORP 2014-02-12 CN disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
EP-2431426-A1 Modified colorants and inkjet ink compositions comprising modified colorants Cabot Corporation (US) 2012-03-21 EP disclosed
EP-2431425-A1 Modified colorants and inkjet ink compositions comprising modified colorants Cabot Corporation (US) 2012-03-21 EP disclosed
EP-2431427-A1 Modified colorants and inkjet ink compositions comprising modified colorants Cabot Corporation (US) 2012-03-21 EP disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
CN-101379143-A Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORP (US) 2009-03-04 CN disclosed
EP-1951821-A2 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS Cabot Corporation (US) 2008-08-06 EP disclosed
WO-2007053564-A2 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS CABOT CORPORATION (US) 2007-05-10 WO disclosed
US-20070100024-A1 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION 2007-05-03 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 (1 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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS PGK1 240/4885PGK2 245/4885GRM4 3327/4885

“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.