SCHEMBL3584933

SCHEMBL3584933

O=C(O)CCOCCc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.51
FFAR4 Q5NUL3 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
LTB4R Q15722 2/20 0.43
PDPK1 O15530 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KEAP1 Q14145 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
SCHEMBL14232844 0.84 NR4A2 (0.47) FFAR1FFAR4MEN1KMT2ALMNA
SCHEMBL8103430 0.84 FFAR4 (0.56) FFAR1FFAR4PPARGPPARA
SCHEMBL3584403 0.83 KEAP1 (0.63) FFAR1FFAR4HDAC3HDAC4HDAC1
SCHEMBL11228865 0.82 TAAR1 (0.54) LMNA
SCHEMBL3594094 0.82 FFAR1 (0.56) FFAR1FFAR4LMNAL3MBTL1KEAP1
SCHEMBL19294596 0.82 FFAR1 (0.55) FFAR1FFAR4LTB4RPDPK1LMNA
SCHEMBL3580780 0.82 FFAR1 (0.55) FFAR1FFAR4LTB4RPDPK1LMNA
SCHEMBL13886150 0.82 L3MBTL1 (0.56) FFAR1FFAR4KMT2ALMNAL3MBTL1
SCHEMBL28635374 0.82 FFAR1 (0.46) FFAR1FFAR4HDAC3HDAC4HDAC1
SCHEMBL16542342 0.82 TAAR1 (0.39) FFAR1FFAR4HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007372-B1 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECH INC (US) 2015-03-04 EP 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-20090092580-A1 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECHNOLOGIES INC. (US) 2009-04-09 US disclosed
US-20090092580-A1 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECHNOLOGIES INC. (US) 2009-04-09 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
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
EP-1915354-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007121471-A2 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-10-25 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 (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-20080300275-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 FFAR1 1540/4885FFAR4 1795/4885HDAC3 371/4885
US-20090092580-A1 DIALKYL ETHER DELIVERY AGENTS LIPA, SLC10A1, ABCB11 FFAR1 1337/4885FFAR4 1213/4885HDAC3 835/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 FFAR1 1540/4885FFAR4 1795/4885HDAC3 371/4885

“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.