SCHEMBL1415050

SCHEMBL1415050

CC(C)(C)OP(=O)(Oc1ccc(Br)cc1C=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
ERN1 O75460 2/20 0.40
SRC P12931 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
CYP2A6 P11509 2/20 0.33
PRKDC P78527 1/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TNFRSF1A P19438 1/20 0.32
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
AMY1A P0DUB6 1/20 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
SCHEMBL3307023 0.82 PTGDR2 (0.49) PTGDR2ERN1HPGDTSHRMAPT
SCHEMBL31509836 0.78 SRC (0.57) PTGDR2ERN1SRCHPGDTSHR
SCHEMBL6272822 0.78 SRC (0.57) PTGDR2ERN1SRCHPGDTSHR
SCHEMBL4422950 0.76 SRC (0.59) PTGDR2ERN1SRC
SCHEMBL13322867 0.76 PTGDR2 (0.47) PTGDR2ERN1SRCKDM4EHPGD
SCHEMBL29890082 0.72 ERN1 (0.58) PTGDR2ERN1KDM4ETSHRPRKDC
SCHEMBL153974 0.72 ERN1 (0.58) PTGDR2ERN1KDM4ETSHRPRKDC
SCHEMBL9135651 0.71 PTGDR2 (0.46) PTGDR2ERN1SRCHPGDTSHR
SCHEMBL28500163 0.71 PTGDR2 (0.48) PTGDR2ERN1KDM4EHPGDTSHR
SCHEMBL31510008 0.71 SRC (0.34) ERN1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2294077-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY Gilead Sciences, Inc. (US) 2011-03-16 EP disclosed
US-20100209508-A1 Substituted Phenylphosphates as Mutual Prodrugs of Steroids and ß-Agonists for the Treatment of Title Pulmonary Inflammation and Bronchoconstriction CORUS PHARMA, INC. (US) 2010-08-19 US disclosed
US-20100112061-A1 Monophosphates as Mutual Prodrugs of Muscarinic Receptor Antagonists and Beta-Agonists for the Treatment of COPD And Chronic Bronchitis GILEAD SCIENCES, INC. 2010-05-06 US disclosed
US-20100098641-A1 Monophosphates as Mutual Prodrugs of Anti-Inflammatory Signal Transduction Modulators (AISTM's) and Beta-Agonists for the Treatment of Pulmonary Inflammation and Bronchoconstriction GILEAD SCIENCES, INC. 2010-04-22 US disclosed
US-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
EP-2125841-A1 MONOPHOSPHATES AS MUTUAL PRODRUGS OF ANTI-INFLAMMATORY SIGNAL TRANSDUCTION MODULATORS (AISTM'S) AND BETA-AGONISTS FOR THE TREATMENT OF PULMONARY INFLAMMATION AND BRONCHOCONSTRICTION Gilead Sciences, Inc. (US) 2009-12-02 EP disclosed
EP-2114972-A2 MONOPHOSPHATES AS MUTUAL PRODRUGS OF MUSCARINIC RECEPTOR ANTAGONISTS AND BETA-AGONISTS FOR THE TREATMENT OF COPD AND CHRONIC BRONCHITIS Gilead Sciences, Inc. (US) 2009-11-11 EP disclosed
WO-2008076265-A1 MONOPHOSPHATES AS MUTUAL PRODRUGS OF ANTI-INFLAMMATORY SIGNAL TRANSDUCTION MODULATORS (AISTM'S) AND β-AGONISTS FOR THE TREATMENT OF PULMONARY INFLAMMATION AND BRONCHOCONSTRICTION GILEAD SCIENCES, INC. (US) 2008-06-26 WO disclosed
WO-2008076269-A2 MONOPHOSPHATES AS MUTUAL PRODRUGS OF MUSCARINIC RECEPTOR ANTAGONISTS AND β-AGONISTS FOR THE TREATMENT OF COPD AND CHRONIC BRONCHITIS GILEAD SCIENCES, INC. (US) 2008-06-26 WO disclosed
EP-1893220-A1 SUBSTITUTED PHENYLPHOSPHATES AS MUTUAL PRODRUGS OF STEROIDS AND BETA -AGONISTS FOR THE TREATMENT OF PULMONARY INFLAMMATION AND BRONCHOCONSTRICTION Gilead Sciences, Inc. (US) 2008-03-05 EP disclosed
WO-2006138212-A1 SUBSTITUTED PHENYLPHOSPHATES AS MUTUAL PRODRUGS OF STEROIDS AND β -AGONISTS FOR THE TREATMENT OF PULMONARY INFLAMMATION AND BRONCHOCONSTRICTION GILEAD SCIENCES, INC. (US) 2006-12-28 WO disclosed
WO-2005063777-A1 BENZYLPHOSPHATE AND SUBSTITUTED BENZYLPHOSPHATE PRODRUGS FOR THE TREATMENT OF PULMONARY INFLAMMATION CORUS PHARMA (US) 2005-07-14 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 (4 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-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY ADRB1, ADRB2, ADRB3 PTGDR2 173/4885ERN1 1330/4885SRC 867/4885
US-20100098641-A1 Monophosphates as Mutual Prodrugs of Anti-Inflammatory Signal Transduction Modulators (AISTM's) and Beta-Agonists for the Treatment of Pulmonary Inflammation and Bronchoconstriction ADRB1, ADRB2, PDE11A PTGDR2 441/4885ERN1 2784/4885SRC 3132/4885
US-20100112061-A1 Monophosphates as Mutual Prodrugs of Muscarinic Receptor Antagonists and Beta-Agonists for the Treatment of COPD And Chronic Bronchitis ADRB1, ADRB2, CHRM3 PTGDR2 189/4885ERN1 3341/4885SRC 3176/4885
US-20100209508-A1 Substituted Phenylphosphates as Mutual Prodrugs of Steroids and ß-Agonists for the Treatment of Title Pulmonary Inflammation and Bronchoconstriction ADRB1, ADRB3, ADRB2 PTGDR2 234/4885ERN1 1814/4885SRC 2903/4885

“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.