SCHEMBL1850109

SCHEMBL1850109

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.40
TSHR P16473 3/20 0.39
HMGCR P04035 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.32
PPARD Q03181 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL1849695 0.90 TSHR (0.38) AOX1TSHRHMGCRALDH1A1LMNA
SCHEMBL1849754 0.80 TSHR (0.40) AOX1TSHRHMGCRALDH1A1LMNA
SCHEMBL5679623 0.76 TP53 (0.42) TSHRHMGCRALDH1A1TP53TDP1
SCHEMBL13334729 0.76 FDPS (0.52) TSHRHMGCRTP53TDP1POLB
SCHEMBL5683164 0.76 TSHR (0.40) TSHRHMGCRTP53TDP1POLB
SCHEMBL12440450 0.76 TSHR (0.40) TSHRHMGCRALDH1A1LMNAMAPT
SCHEMBL9063345 0.76 PPARD (0.46) TSHRHMGCRTP53TDP1POLB
SCHEMBL2541218 0.74 TSHR (0.39) TSHRHMGCRTP53TDP1POLB
SCHEMBL8811318 0.74 MEN1 (0.40) TSHRHMGCRTP53TDP1POLB
SCHEMBL9652021 0.74 TSHR (0.48) TSHRHMGCRTP53TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524691-B2 Phosphonated rifamycins and uses thereof for the prevention and treatment of bone and joint infections THE MEDICINES COMPANY (US) 2013-09-03 US disclosed
US-20110178001-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS CORP. (US) 2011-07-21 US disclosed
EP-2324041-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS Targanta Therapeutics Corp. (US) 2011-05-25 EP disclosed
WO-2010019511-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS CORP. (US) 2010-02-18 WO disclosed
WO-2010019511-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS CORP. (US) 2010-02-18 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-20110178001-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS BPGM, SOST, PSPH AOX1 2734/4885TSHR 4317/4885HMGCR 157/4885

“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.