SCHEMBL3584823

SCHEMBL3584823

O=C(O)CCOCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.57
FFAR1 O14842 3/20 0.57
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54
TAAR1 Q96RJ0 1/20 0.50
NR4A2 P43354 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
EPHX1 P07099 1/20 0.47
ACP3 P15309 1/20 0.47
KDM4E B2RXH2 1/20 0.46
S1PR1 P21453 1/20 0.46
GRK5 P34947 1/20 0.46
CDK8 P49336 1/20 0.46
S1PR5 Q9H228 1/20 0.46
ALOX5 P09917 1/20 0.46
GRM2 Q14416 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
SCHEMBL365336 0.85 FFAR1 (0.70) FFAR4FFAR1THRATHRBTAAR1
Hydrochloric Acid SCHEMBL30765594 0.83 FFAR1 (0.68) FFAR4FFAR1THRATHRBTAAR1
SCHEMBL13225845 0.83 FFAR4 (0.45) FFAR4FFAR1THRATHRBTAAR1
SCHEMBL1981615 0.82 FFAR4 (0.59) FFAR4FFAR1THRATHRBTAAR1
SCHEMBL11755472 0.81 HDAC1 (0.60) FFAR4FFAR1THRATHRBTAAR1
SCHEMBL3589744 0.81 FFAR1 (0.51) FFAR1TAAR1NR4A2ALOX5
SCHEMBL7150587 0.79 MAPT (0.60) FFAR4FFAR1THRATHRBTAAR1
SCHEMBL28680531 0.78 FFAR4 (0.50) FFAR4FFAR1THRATHRBTAAR1
SCHEMBL3584403 0.78 KEAP1 (0.63) FFAR4FFAR1HDAC1HDAC8MAPT
SCHEMBL1559768 0.78 FFAR1 (0.55) FFAR4FFAR1THRATHRBTAAR1

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 FFAR4 1795/4885FFAR1 1540/4885THRA 753/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 FFAR4 1795/4885FFAR1 1540/4885THRA 753/4885

“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.