SCHEMBL513139

SCHEMBL513139

O=C(O)Cc1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 11/20 0.48
FFAR1 O14842 5/20 0.48
CYP2C9 P11712 2/20 0.44
CACNA1C Q13936 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.42
PIM1 P11309 1/20 0.42
RORC P51449 1/20 0.42
SCN5A Q14524 1/20 0.41
CHRM5 P08912 1/20 0.41
IDH1 O75874 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
PTGDR Q13258 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL30698114 1.00 FFAR4 (0.48) FFAR4FFAR1CYP2C9CACNA1CPTGDR2
SCHEMBL1561518 0.87 FFAR4 (0.51) FFAR4FFAR1CYP2C9CACNA1CPTGDR2
SCHEMBL18528800 0.86 FFAR4 (0.54) FFAR4FFAR1CYP2C9CACNA1CSCN5A
SCHEMBL23241559 0.83 RXRA (0.54) FFAR4FFAR1CYP2C9CACNA1CPTGDR2
SCHEMBL512391 0.81 POLB (0.52) FFAR4FFAR1
SCHEMBL1142783 0.80 HSD17B10 (0.63) FFAR4HSD17B10
SCHEMBL14157789 0.80 PDE2A (0.48) FFAR4FFAR1CHRM5TRPV1
SCHEMBL15540042 0.80 FFAR4 (0.43) FFAR4FFAR1CHRM5TRPV1
SCHEMBL30484251 0.80 FFAR4 (0.43) FFAR4FFAR1CHRM5TRPV1
SCHEMBL30151160 0.78 FFAR4 (0.60) FFAR4FFAR1CYP2C9CACNA1CSCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
EP-2668168-A1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2013-12-04 EP disclosed
CN-103328451-A Compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2013-09-25 CN disclosed
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 WO disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US 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-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP FFAR4 2660/4885FFAR1 2361/4885CYP2C9 4179/4885
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP FFAR4 2660/4885FFAR1 2361/4885CYP2C9 4179/4885

“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.