SCHEMBL1246091

SCHEMBL1246091

N#Cc1cccc(CCOCCC(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.59
FFAR4 Q5NUL3 2/20 0.59
PTGFR P43088 1/20 0.45
MMP2 P08253 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.43
CNR1 P21554 1/20 0.43
GSK3B P49841 1/20 0.43
FOLH1 Q04609 1/20 0.43
PLA2G10 O15496 1/20 0.43
PLA2G2A P14555 1/20 0.43
MEP1A Q16819 1/20 0.43
MEP1B Q16820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
VNN1 O95497 1/20 0.41

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
SCHEMBL12258715 0.87 FFAR1 (0.48) FFAR1FFAR4LMNAGLACNR1
SCHEMBL2772477 0.87 FFAR1 (0.53) FFAR1FFAR4LMNAGLACNR1
SCHEMBL1560262 0.86 FFAR1 (0.53) FFAR1FFAR4
SCHEMBL24968899 0.85 FFAR1 (0.46) FFAR1FFAR4LMNAGLACNR1
SCHEMBL3491515 0.85 FFAR1 (0.72) FFAR1FFAR4PTGFRLMNACNR1
SCHEMBL4840290 0.82 FFAR1 (0.60) FFAR1FFAR4PTGFRLMNACNR1
SCHEMBL1247027 0.82 FFAR1 (0.44) FFAR1FFAR4LMNAGLACNR1
SCHEMBL1559856 0.80 FFAR1 (0.47) FFAR1FFAR4
SCHEMBL21885801 0.79 FFAR1 (0.61) FFAR1FFAR4PTGFRLMNAGSK3B
SCHEMBL3584403 0.78 KEAP1 (0.63) FFAR1FFAR4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 EP disclosed
US-8017602-B2 N-(2-(2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethylamino)ethyl)-3-(phenethoxy)propanamide derivatives, processes for their preparation, pharmaceutical compositions containing them and their use in therapy ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2303873-A1 BENZOXAZINONE DERIVATIVES ACTING AS BETA2-ADRENORECEPTOR AGONIST FOR THE TREATMENT OF RESPIRATORY DISORDERS AstraZeneca AB (SE) 2011-04-06 EP disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
US-20100105642-A1 NOVEL COMPOUNDS 409 ASTRAZENECA AB (SE) 2010-04-29 US disclosed
WO-2009154557-A1 BENZOXAZINONE DERIVATIVES ACTING AS BETA2-ADRENORECEPTOR AGONIST FOR THE TREATMENT OF RESPIRATORY DISORDERS ASTRAZENECA AB (SE) 2009-12-23 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-20100105642-A1 NOVEL COMPOUNDS 409 GPR119, CYP4B1, CYP4A11 FFAR1 909/4885FFAR4 612/4885PTGFR 1020/4885
US-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 FFAR1 934/4885FFAR4 1411/4885PTGFR 668/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 FFAR1 934/4885FFAR4 1411/4885PTGFR 668/4885

“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.