SCHEMBL3589744

SCHEMBL3589744

O=C(O)CCOCCc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.51
TAAR1 Q96RJ0 3/20 0.46
NR4A2 P43354 2/20 0.44
HCAR2 Q8TDS4 1/20 0.44
PKM P14618 1/20 0.43
ALOX5 P09917 1/20 0.43
SLC1A1 P43005 2/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGFR P43088 1/20 0.42
PTGER3 P43115 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
SCHEMBL1623271 0.86 FFAR1 (0.49) FFAR1TAAR1NR4A2HCAR2ALOX5
SCHEMBL28648032 0.85 TAAR1 (0.61) TAAR1HCAR2
SCHEMBL3591978 0.83 ACLY (0.37) FFAR1
SCHEMBL334758 0.83 FFAR1 (0.68) FFAR1TAAR1PKM
SCHEMBL3584403 0.81 KEAP1 (0.63) FFAR1HCAR2
SCHEMBL3587968 0.81 FFAR4 (0.54) FFAR1TAAR1ALOX5CHRM5CHRM1
SCHEMBL1180332 0.81 ALDH1A1 (0.57) FFAR1TAAR1HCAR2
SCHEMBL1559768 0.81 FFAR1 (0.55) FFAR1TAAR1HCAR2
SCHEMBL3584823 0.81 FFAR4 (0.57) FFAR1TAAR1NR4A2ALOX5
SCHEMBL13225838 0.80 CTSS (0.42) TAAR1ALOX5CHRM5CHRM1

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 16 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-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 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
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
WO-2008075025-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
EP-1915354-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 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-20120142646-A1 Novel Compounds 621 AR, ADRA1D, ADRA1B FFAR1 324/4885TAAR1 577/4885NR4A2 159/4885
US-20080300275-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 FFAR1 1540/4885TAAR1 806/4885NR4A2 119/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A FFAR1 621/4885TAAR1 28/4885NR4A2 155/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 FFAR1 1540/4885TAAR1 806/4885NR4A2 119/4885

“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.