SCHEMBL3301747

SCHEMBL3301747

CC(C)(C)OC(=O)N(CCCCCCOCCCCc1ccccc1)CC(O)c1ccc(OCOP(=O)(OC(C)(C)C)OC(C)(C)C)c(C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ ADRB2 P07550 9/20 0.34
▸ ADRB1 P08588 8/20 0.34
▸ ADRB3 P13945 8/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ FPR3 P25089 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ HTR1D P28221 1/20 0.34

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
SCHEMBL1411643 0.91 L3MBTL1 (0.39) BACE1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL1414918 0.89 ADRB2 (0.41) BACE1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL1411944 0.86 BACE1 (0.37) BACE1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL1411754 0.83 ADRB2 (0.45) BACE1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL1411758 0.83 ADRB2 (0.45) BACE1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL1411756 0.83 ADRB2 (0.45) BACE1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL4409441 0.82 ADRB2 (0.44) BACE1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL4409438 0.82 ADRB2 (0.44) BACE1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL1414874 0.82 ADRB2 (0.44) BACE1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL3301758 0.81 L3MBTL1 (0.38) BACE1L3MBTL1ADRB2ADRB1ADRB3

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 5 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-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-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

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 BACE1 588/4885L3MBTL1 4824/4885ADRB2 2/4885
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 BACE1 446/4885L3MBTL1 3746/4885ADRB2 2/4885
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 BACE1 1120/4885L3MBTL1 4725/4885ADRB2 2/4885

“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.

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