SCHEMBL1507260

SCHEMBL1507260

CCSC(=O)OCOC(=O)CC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
HIF1A Q16665 1/20 0.35
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TRPA1 O75762 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL21332795 0.83 ALDH1A1 (0.44) ALDH1A1CYP1A2TSHRMAPK1KDM4E
SCHEMBL15246923 0.83 ALDH1A1 (0.34) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL990499 0.82 ALDH1A1 (0.44) ALDH1A1GAATSHRMAPK1KDM4E
SCHEMBL681192 0.80 NAAA (0.52) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL5212948 0.79 MMP1 (0.36) ALDH1A1TSHRACHE
SCHEMBL391974 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18655543 0.79 CYP1A2 (0.34) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL5990057 0.79 TSHR (0.50) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL19142615 0.79
SCHEMBL3953134 0.78 ALDH1A1 (0.34) ALDH1A1ACHE

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 11 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-2292590-A2 Prodrugs of 9-aminomethyl tetracycline compounds Paratek Pharmaceuticals, Inc. (US) 2011-03-09 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
US-7265140-B2 Acyloxymethylcarbamate prodrugs of oxazolidinones PFIZER INC (US) 2007-09-04 US disclosed
EP-1668005-B1 ACYLOXYMETHYLCARBAMATE PRODRUGS OF OXAZOLIDINONES PHARMACIA & UPJOHN CO LLC (US) 2007-02-14 EP disclosed
EP-1668005-A1 ACYLOXYMETHYLCARBAMATE PRODRUGS OF OXAZOLIDINONES Pharmacia & Upjohn Company LLC (US) 2006-06-14 EP disclosed
US-20050267104-A1 E.g., ({[Acetyl({(5R)-3-[4-(1,1-dioxidotetrahydro-2H-thiopyran4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl}-methyl)amino]carbonyl}oxymethyl acetate; these compounds have potent activity with excellent oral bioavailability against Gram-positive and Gram-negative bacteria PHARMACIA & UPJOHN COMPANY LLC 2005-12-01 US disclosed
WO-2005028473-A1 ACYLOXYMETHYLCARBAMATE PRODRUGS OF OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2005-03-31 WO disclosed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 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-20110178001-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS BPGM, SOST, PSPH NAAA 794/4885ALDH1A1 3493/4885CYP1A2 3865/4885
US-20050267104-A1 E.g., ({[Acetyl({(5R)-3-[4-(1,1-dioxidotetrahydro-2H-thiopyran4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl}-methyl)amino]carbonyl}oxymethyl acetate; these compounds have potent activity with excellent oral bioavailability against Gram-positive and Gram-negative bacteria HDAC3, HDAC1, OGA NAAA 82/4885ALDH1A1 591/4885CYP1A2 1028/4885

“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.