SCHEMBL744205

SCHEMBL744205

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.60
PGK1 P00558 6/20 0.44
PGK2 P07205 6/20 0.44
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
GRM8 O00222 1/20 0.41
GRM7 Q14831 1/20 0.41
GRM4 Q14833 1/20 0.41
FDPS P14324 1/20 0.41
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACP3 P15309 2/20 0.38
THRB P10828 2/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL9301497 0.87 SRC (0.75) SRCPGK1PGK2MAPTACP3
SCHEMBL16931008 0.81 ACP3 (0.57) SRCPGK1PGK2ANPEPERAP2
SCHEMBL2171583 0.80 SRC (0.65) SRCPGK1PGK2ACP3CA14
SCHEMBL744283 0.79 PGK1 (0.59) SRCPGK1PGK2ANPEPERAP2
SCHEMBL15397888 0.79 ANPEP (0.44) SRCPGK1PGK2ANPEPERAP2
SCHEMBL5936840 0.78 SRC (0.62) SRCPGK1PGK2GRM8GRM4
SCHEMBL2637390 0.77 PGK1 (0.41) SRCPGK1PGK2ANPEPERAP2
SCHEMBL4093802 0.76 SRC (0.60) SRCPGK1PGK2MAPTTHRB
SCHEMBL1552133 0.76 SRC (0.60) SRCPGK1PGK2MEN1KMT2A
Phosphoric Acid SCHEMBL6267680 0.76 MEN1 (0.57) ANPEPERAP2FDPSMAPTMEN1

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 14 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-8858695-B2 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION (US) 2014-10-14 US disclosed
EP-2431427-A1 Modified colorants and inkjet ink compositions comprising modified colorants Cabot Corporation (US) 2012-03-21 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
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 US disclosed
EP-1951821-A2 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS Cabot Corporation (US) 2008-08-06 EP disclosed
EP-1881974-A2 PHOSPHONATED FLUOROQUINOLONES, ANTIBACTERIAL ANALOGS THEREOF, AND METHODS FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS Targanta Therapeutics Inc. (CA) 2008-01-30 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
WO-2007017762-A2 PHOSPHONATED FLUOROQUINOLONES, ANTIBACTERIAL ANALOGS THEREOF, AND METHODS FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-02-15 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 (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-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS SRC 1714/4885PGK1 393/4885PGK2 526/4885

“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.