SCHEMBL3574628

SCHEMBL3574628

O=C(O)CCOCCc1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.67
FFAR1 O14842 3/20 0.52
SLC13A5 Q86YT5 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
PDPK1 O15530 1/20 0.50
FFAR4 Q5NUL3 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
CYP2C9 P11712 1/20 0.47
SOX18 P35713 1/20 0.46
PTPN7 P35236 1/20 0.45

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
SCHEMBL4589202 0.98 CYP1A2 (0.65) CYP1A2FFAR1SLC13A5CYP2D6CYP2C19
SCHEMBL4588706 0.86 CYP1A2 (0.59) CYP1A2FFAR1SLC13A5PDPK1FFAR4
SCHEMBL29546077 0.85 CYP1A2 (0.54) CYP1A2HDAC1HDAC8
SCHEMBL869422 0.85 CYP1A2 (0.54) CYP1A2HDAC1HDAC8
SCHEMBL30403190 0.83 CYP1A2 (0.80) CYP1A2FFAR1SLC13A5CYP2D6CYP2C19
SCHEMBL1217683 0.83 CYP1A2 (0.80) CYP1A2FFAR1SLC13A5CYP2D6CYP2C19
SCHEMBL632012 0.82 CYP1A2 (0.44) CYP1A2FFAR1CYP2D6CYP2C19FFAR4
Hydrochloric Acid SCHEMBL27401796 0.82 CYP1A2 (0.77) CYP1A2FFAR1SLC13A5CYP2D6CYP2C19
SCHEMBL3584403 0.81 KEAP1 (0.63) FFAR1FFAR4HDAC1HDAC8
SCHEMBL14814417 0.80 CYP1A2 (0.47) CYP1A2SLC13A5PDPK1HDAC1HDAC8

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 5 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-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
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

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 CYP1A2 481/4885FFAR1 1540/4885SLC13A5 2786/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 CYP1A2 481/4885FFAR1 1540/4885SLC13A5 2786/4885

“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.