SCHEMBL3594094

SCHEMBL3594094

O=C(O)CCOCCc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.56
HTT P42858 1/20 0.47
FFAR4 Q5NUL3 5/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
LTA4H P09960 1/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KEAP1 Q14145 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42

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
SCHEMBL320664 0.84 FFAR4 (0.56) FFAR1FFAR4LMNA
SCHEMBL3584403 0.83 KEAP1 (0.63) FFAR1FFAR4KEAP1
SCHEMBL28367193 0.82 TAAR1 (0.54)
SCHEMBL19294596 0.82 FFAR1 (0.55) FFAR1FFAR4PPARGLMNAL3MBTL1
SCHEMBL28635374 0.82 FFAR1 (0.46) FFAR1FFAR4LMNAL3MBTL1KEAP1
SCHEMBL13886150 0.82 L3MBTL1 (0.56) FFAR1FFAR4PPARGLMNAL3MBTL1
SCHEMBL3580780 0.82 FFAR1 (0.55) FFAR1FFAR4PPARGLMNAL3MBTL1
SCHEMBL3584933 0.82 FFAR1 (0.51) FFAR1FFAR4PPARGPPARALMNA
SCHEMBL3591978 0.82 ACLY (0.37) FFAR1FFAR4KEAP1
SCHEMBL193318 0.81 FFAR1 (0.79) FFAR1HTTFFAR4KEAP1PLAAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142646-A1 Novel Compounds 621 ASTRAZENECA AB (SE) 2012-06-07 US disclosed
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-03-04 US disclosed
EP-2094646-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2008075025-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-6080869-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LIMITED (GB) 2000-06-27 US disclosed
EP-0850232-B1 BENZOTHIAZOLONE DERIVATIVES ASTRA PHARMA PROD (GB) 2000-03-15 EP disclosed
US-6008365-A ADRENORECEPTOR AGONISTS AND DOPAMINE DA2-RECEPTOR AGONISTS, USEFUL IN THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES ASTRA PHARMACEUTICALS LTD. (GB) 1999-12-28 US disclosed
US-5977384-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LTD. (GB) 1999-11-02 US disclosed
US-5973167-A Intermediates for making benzothiazolone derivatives ASTRA PHARMACEUTICALS LTD. (GB) 1999-10-26 US disclosed
US-5846989-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LIMITED (GB) 1998-12-08 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 (2 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-20120142646-A1 Novel Compounds 621 AR, ADRA1D, ADRA1B FFAR1 324/4885HTT 2422/4885FFAR4 532/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A FFAR1 621/4885HTT 2824/4885FFAR4 741/4885

“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.