SCHEMBL4207706

SCHEMBL4207706

CCOP(C)(=O)CP(=O)(OCC)OCC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
PPARD Q03181 2/20 0.46
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
ACHE P22303 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
SCHEMBL282472 0.83 TSHR (0.67) TSHRPPARDTP53TDP1MEN1
SCHEMBL10040020 0.81 TSHR (0.57) TSHRPPARDTP53TDP1MEN1
SCHEMBL16785847 0.81 TSHR (0.48) TSHRPPARDTP53TDP1ACHE
SCHEMBL9654507 0.80 TSHR (0.63) TSHRPPARDTP53TDP1MEN1
SCHEMBL4420368 0.77 TSHR (0.43) TSHRPPARDTP53TDP1
Dimethylamine SCHEMBL27510386 0.76 TSHR (0.57) TSHRPPARDTP53TDP1MEN1
SCHEMBL8862408 0.76 TSHR (0.57) TSHRPPARDTP53TDP1MEN1
SCHEMBL14900679 0.75 TP53 (0.50) TSHRPPARDTP53TDP1ACHE
SCHEMBL18309148 0.75
SCHEMBL575282 0.75

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000500758-A 2000-01-25 JP claimed
EP-0862575-A1 NOVEL GERANYLGERANYL-DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND RELATED PHARMACEUTICAL COMPOSITIONS LABORATORI BALDACCI Spa (IT) 1998-09-09 EP claimed
US-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20150225432-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-08-13 US disclosed
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-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-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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
WO-2011139695-A2 MODIFIED 5' DIPHOSPHATE NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 2011-11-10 WO 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-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 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
WO-2008079382-A1 SPHINGOSINE-1 -PHOSPHATE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
WO-2007138381-A2 PHOSPHONATED OXAZOLIDINONES AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-12-06 WO disclosed
EP-0862575-B1 NOVEL GERANYLGERANYL-DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND RELATED PHARMACEUTICAL COMPOSITIONS BALDACCI LAB SPA (IT) 2004-02-11 EP disclosed
US-6242433-B1 HAVING ANTIPROLIFERATIVE ACTIVITY IN EUKARYOTIC CELLS WITH RESPECT TO THE INHIBITION OF PROTEIN GERANYGERANYLATION. LABORATORI BALDACCI SPA (IT) 2001-06-05 US disclosed
EP-0862575-A1 NOVEL GERANYLGERANYL-DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND RELATED PHARMACEUTICAL COMPOSITIONS LABORATORI BALDACCI Spa (IT) 1998-09-09 EP 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 (5 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP TSHR 4335/4885PPARD 4403/4885TP53 1846/4885
US-20110178001-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS BPGM, SOST, PSPH TSHR 4317/4885PPARD 2259/4885TP53 2277/4885
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS TSHR 4446/4885PPARD 1144/4885TP53 2127/4885
US-20150225432-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR1, TLR6, TLR7 TSHR 3415/4885PPARD 256/4885TP53 807/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE TSHR 20/4885PPARD 53/4885TP53 869/4885

“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.