SCHEMBL3313487

SCHEMBL3313487

CCOP(=O)(OCC)C(CC(=O)O)P(=O)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HMGCR P04035 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARD Q03181 1/20 0.35

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
SCHEMBL13334734 0.83 GAA (0.40) POLBGAACYP3A4CYP2C9CYP2C19
SCHEMBL8597221 0.81 GAA (0.39) POLBGAACYP3A4CYP2C9CYP2C19
SCHEMBL29705770 0.81 GAA (0.42) POLBGAACYP3A4CYP2C9CYP2C19
SCHEMBL5003857 0.81 GAA (0.42) POLBGAACYP3A4CYP2C9CYP2C19
SCHEMBL14445604 0.80 CYP3A4 (0.47) GAACYP3A4TSHR
SCHEMBL11345116 0.79 GAA (0.41) POLBGAACYP3A4CYP2C9CYP2C19
Potassium Ion SCHEMBL3310678 0.79 GAA (0.38) POLBGAACYP3A4CYP2C9CYP2C19
SCHEMBL8598579 0.79 ALDH1A1 (0.45) POLBGAACYP3A4CYP2C9CYP2C19
SCHEMBL14561060 0.79 POLB (0.41) POLBGAACYP3A4CYP2C9CYP2C19
SCHEMBL11203250 0.79 POLB (0.41) POLBGAACYP3A4CYP2C9CYP2C19

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189562-A1 Metal Complexes with Bisphosphonate or Pyrophosphate Useful as Imaging Agents UNIV DUKE (US) 2017-07-06 US disclosed
US-20170189562-A1 Metal Complexes with Bisphosphonate or Pyrophosphate Useful as Imaging Agents UNIV DUKE (US) 2017-07-06 US disclosed
WO-2016172552-A1 METAL COMPLEXES WITH BISPHOSPHONATE OR PYROPHOSPHATE USEFUL AS IMAGING AGENTS LADERX LLC (US) 2016-10-27 WO disclosed
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
EP-2097440-A1 PHOSPHONATED GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS Targanta Therapeutics Inc. (CA) 2009-09-09 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
WO-2008077241-A1 PHOSPHONATED GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS, INC. (CA) 2008-07-03 WO 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-2007138381-A2 PHOSPHONATED OXAZOLIDINONES AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-12-06 WO disclosed
EP-0831869-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2006-02-08 EP disclosed
EP-0831869-A4 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 1999-04-21 EP disclosed
US-5880111-A CHEMOTHERAPWUTIC AGENTS; TREATING PERIODONTAL DISEASE AND URINARY TRACT INFECTIONS FARCASIU DAN (US) 1999-03-09 US disclosed
EP-0831869-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS Elizanor Biopharmaceuticals, Inc. (US) 1998-04-01 EP disclosed
US-5728650-A Herbicidal aza bisphosphonic acids and compositions containing the same ZENECA LIMITED (GB) 1998-03-17 US disclosed
EP-0820230-A1 HERBICIDAL AZA BISPHOSPHONIC ACIDS AND COMPOSITIONS CONTAINING THE SAME ZENECA LIMITED (GB) 1998-01-28 EP disclosed
WO-1996040190-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
WO-1996031124-A1 HERBICIDAL AZA BISPHOSPHONIC ACIDS AND COMPOSITIONS CONTAINING THE SAME ZENECA LIMITED (GB) 1996-10-10 WO disclosed
US-5391776-A A bisphosphonate gonanes; selective absorbed by bone; therapy agent for osteoporosis MITSUBISHI KASEI CORPORATION (JP) 1995-02-21 US disclosed
EP-0555845-A2 Steroid derivatives MITSUBISHI KASEI CORPORATION (JP) 1993-08-18 EP 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 (3 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 POLB 2437/4885GAA 673/4885CYP3A4 4566/4885
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS POLB 237/4885GAA 1879/4885CYP3A4 2952/4885
US-20170189562-A1 Metal Complexes with Bisphosphonate or Pyrophosphate Useful as Imaging Agents PPIP5K2, MPI, PPA1 POLB 1902/4885GAA 1873/4885CYP3A4 4681/4885

“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.