SCHEMBL5276735

SCHEMBL5276735

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.37
EED O75530 1/20 0.36
THRB P10828 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 3/20 0.35
LPAR3 Q9UBY5 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DNM1 Q05193 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
SCHEMBL5273087 0.90 CYP1A2 (0.41) GAACYP3A4CYP2C9CYP2C19POLB
SCHEMBL12232709 0.86 GAA (0.43) GAACYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5274704 0.86 GAA (0.43) GAACYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5273085 0.85 GAA (0.40) GAACYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2543782 0.83 GAA (0.41) GAACYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12232688 0.83 MEN1 (0.44) GAACYP3A4CYP2C9CYP2C19LPAR3
SCHEMBL13334678 0.83 GAA (0.41) GAACYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL22020366 0.81 GAA (0.40) GAACYP3A4CYP2C9CYP2C19POLB
SCHEMBL5276732 0.81 GAA (0.42) GAACYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL24637862 0.80 GAA (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404664-B2 Phosphonated Rifamycins and uses thereof for the prevention and treatment of bone and joint infections TARGANTA THERAPEUTICS, INC. (CA) 2013-03-26 US disclosed
US-20110263534-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS, INC. 2011-10-27 US disclosed
EP-1860113-A1 Ectonucleotidase inhibitors Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-28 EP disclosed
WO-2007096703-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-08-30 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-20110263534-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS BPGM, SOST, PSPH GAA 747/4885CYP3A4 3123/4885CYP2C9 2979/4885

“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.