SCHEMBL5213533

SCHEMBL5213533

CCC(=O)OCOC(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
ALDH1A1 P00352 8/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
WRN Q14191 1/20 0.39
HIF1A Q16665 1/20 0.39
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL681192 0.86 NAAA (0.52) NAAAALDH1A1CYP1A2HPGDCYP2C19
Methane SCHEMBL6300031 0.83 NAAA (0.50) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL10249594 0.83
SCHEMBL26669061 0.82 NAAA (0.52) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL5210881 0.80 ALDH1A1 (0.50) ALDH1A1CYP1A2TSHRLMNAFFAR3
SCHEMBL9129791 0.78 ALDH1A1 (0.50) NAAAALDH1A1CYP1A2HPGDCYP2C19
Propionic Acid SCHEMBL15282786 0.78 FFAR3 (0.59) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL1276385 0.78 ADRA2A (0.39) ALDH1A1CYP1A2BLMTSHRLMNA
SCHEMBL9129481 0.77 DGKA (0.52) ALDH1A1CYP1A2TSHRLMNATDP1
SCHEMBL2979208 0.76 ALDH1A1 (0.52) NAAAALDH1A1CYP1A2HPGDCYP2C19

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-5401868-A Sulfiding and esterification to form chemical intermediates LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUCTIONSAKTIESELSKAB) (DK) 1995-03-28 US claimed
EP-0541550-B1 NEW INTERMEDIATES, THEIR PRODUCTION AND USE LEO PHARM PROD LTD (DK) 1994-09-07 EP claimed
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-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
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
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
US-20040106635-A1 having small-conductance potassium channel (SK) blocking activity TANABE SEIYAKU CO., LTD. (JP) 2004-06-03 US disclosed
EP-1373247-A2 SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF TANABE SEIYAKU CO., LTD. (JP) 2004-01-02 EP disclosed
WO-2002079189-A2 SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2002-10-10 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
US-5401868-A Sulfiding and esterification to form chemical intermediates LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUCTIONSAKTIESELSKAB) (DK) 1995-03-28 US disclosed
EP-0541550-B1 NEW INTERMEDIATES, THEIR PRODUCTION AND USE LEO PHARM PROD LTD (DK) 1994-09-07 EP disclosed
EP-0541550-A1 NEW INTERMEDIATES, THEIR PRODUCTION AND USE. LEO PHARM PROD LTD (DK) 1993-05-19 EP disclosed
WO-1991010639-A1 NEW INTERMEDIATES, THEIR PRODUCTION AND USE Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1991-07-25 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 (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-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
US-20040106635-A1 having small-conductance potassium channel (SK) blocking activity KCNN1, KCNN2, KCNN3 NAAA 3627/4885ALDH1A1 1229/4885CYP1A2 690/4885

“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.