SCHEMBL3589323

SCHEMBL3589323

O=C(O)CCOCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.51
PDPK1 O15530 1/20 0.47
PYGL P06737 1/20 0.47
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
PNMT P11086 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TSHR P16473 2/20 0.44
TRPV1 Q8NER1 1/20 0.43
IGF1R P08069 1/20 0.42
ALOX15 P16050 1/20 0.42
FFAR4 Q5NUL3 2/20 0.42
CDK8 P49336 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 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
SCHEMBL4741469 0.85 FFAR1 (0.49) FFAR1PDPK1PYGLPLAAT3PLAAT5
SCHEMBL1206803 0.83 FFAR1 (0.69) FFAR1PDPK1PYGLPLAAT3PLAAT5
SCHEMBL3584933 0.81 FFAR1 (0.51) FFAR1PDPK1FFAR4MEN1KMT2A
SCHEMBL13225849 0.80 TSHR (0.41) FFAR1PDPK1PYGLPLAAT3PLAAT5
SCHEMBL1694247 0.80 TRPV1 (0.57) FFAR1PDPK1PYGLPLAAT3PLAAT5
SCHEMBL4742633 0.80 PNMT (0.50) PYGLPNMTTAAR1TSHRIGF1R
SCHEMBL1180332 0.79 ALDH1A1 (0.57) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7820835 0.77 MAPT (0.58) FFAR1PDPK1PYGLTRPV1IGF1R
SCHEMBL28327951 0.77 MAPT (0.58) FFAR1PDPK1PYGLTRPV1IGF1R
SCHEMBL3574628 0.76 CYP1A2 (0.67) FFAR1PDPK1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (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-20080300275-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 FFAR1 1540/4885PDPK1 3942/4885PYGL 4597/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 FFAR1 1540/4885PDPK1 3942/4885PYGL 4597/4885

“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.