SCHEMBL3307023

SCHEMBL3307023

CC(C)(C)OP(=O)(OCOc1ccc(Br)cc1C=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.49
HPGD P15428 4/20 0.37
TSHR P16473 2/20 0.37
ERN1 O75460 1/20 0.36
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
ALDH1A1 P00352 5/20 0.33
CCR5 P51681 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL14161971 0.85 PTGDR2 (0.52) PTGDR2HPGDTSHRERN1POLB
SCHEMBL1415050 0.82 PTGDR2 (0.44) PTGDR2HPGDTSHRERN1TDP1
SCHEMBL128987 0.76 PTGDR2 (0.60) PTGDR2HPGDTSHRERN1POLB
SCHEMBL17693643 0.75 FDPS (0.38) HPGDTSHRPOLBTDP1L3MBTL1
SCHEMBL1411706 0.74 GAA (0.36) PTGDR2LMNAALDH1A1CCR5CYP1A2
SCHEMBL17695780 0.73 FDPS (0.46) HPGDPOLBTDP1L3MBTL1NPC1
SCHEMBL17695782 0.73 FDPS (0.46) HPGDPOLBTDP1L3MBTL1NPC1
SCHEMBL29888853 0.73 PTGDR2 (0.60) PTGDR2HPGDTSHRERN1POLB
SCHEMBL4960450 0.73 PTGDR2 (0.60) PTGDR2HPGDTSHRERN1POLB
SCHEMBL17693638 0.73 FDPS (0.38) HPGDTSHRPOLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY ADRB1, ADRB2, ADRB3 PTGDR2 173/4885HPGD 1405/4885TSHR 466/4885
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 441/4885HPGD 1299/4885TSHR 1563/4885
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 189/4885HPGD 301/4885TSHR 527/4885

“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.