SCHEMBL5007400

SCHEMBL5007400

CCOP(=O)(OCC)C(NC(=O)CS)P(=O)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
EED O75530 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 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
SCHEMBL12232709 0.81 GAA (0.43) GAACYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5274704 0.81 GAA (0.43) GAACYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10910425 0.81 GAA (0.46) GAACYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1847963 0.81 GAA (0.43) GAACYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5276732 0.80 GAA (0.42) GAACYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12232688 0.79 MEN1 (0.44) GAACYP3A4CYP2C9CYP2C19
SCHEMBL2543782 0.79 GAA (0.41) GAACYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL13334678 0.79 GAA (0.41) GAACYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5276735 0.79 GAA (0.41) GAACYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL18825530 0.79 CYP3A4 (0.46) GAACYP3A4CYP2C9CYP2C19SMN1; SMN2

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 6 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
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-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-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 (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 GAA 673/4885CYP3A4 4566/4885CYP2C9 4362/4885
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS GAA 1879/4885CYP3A4 2952/4885CYP2C9 2368/4885

“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.