SCHEMBL13334530

SCHEMBL13334530

CCOP(=O)(CP(=O)(OCC)c1ccc(C)cc1)OCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.34
PPARD Q03181 1/20 0.34
ACHE P22303 1/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
ADAM17 P78536 1/20 0.33
ADAM9 Q13443 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5664837 0.84 AOX1 (0.41) AOX1MEN1KMT2AGAATSHR
SCHEMBL5488693 0.83 HPGD (0.45) AOX1HPGDMEN1KMT2AGAA
SCHEMBL12258671 0.81 AOX1 (0.45) AOX1HPGDKMT2ATSHRLMNA
SCHEMBL5663483 0.81 MEN1 (0.60) HPGDMEN1KMT2AGAATSHR
SCHEMBL5664855 0.80 MEN1 (0.44) AOX1MEN1KMT2ATSHRALDH1A1
SCHEMBL2958530 0.80 FPR2 (0.39) AOX1MEN1KMT2AGAATSHR
SCHEMBL5488227 0.80 AOX1 (0.50) AOX1HPGDMEN1KMT2AGAA
SCHEMBL5663666 0.79 CA1 (0.54) AOX1MEN1KMT2ATSHRLMNA
SCHEMBL13361800 0.78 MAPT (0.46) HPGDMEN1KMT2ATSHRLMNA
SCHEMBL5490869 0.77 AOX1 (0.47) AOX1HPGDMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946144-B2 Phosphonated glycopeptide and lipoglycopeptide antibiotics and uses thereof for the prevention and treatment of bone and joint infections THE MEDICINES COMPANY (US) 2015-02-03 US disclosed
US-20100113333-A1 PHOSPHONATED GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS, INC. (CA) 2010-05-06 US 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

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-20100113333-A1 PHOSPHONATED GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS PGLS, BPGM, PAG1 AOX1 2739/4885HPGD 2953/4885MEN1 3692/4885
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS AOX1 2283/4885HPGD 1656/4885MEN1 2424/4885

“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.