SCHEMBL548615

SCHEMBL548615

COc1c(-c2cc(F)c(F)c(F)c2)cc(-c2cc(F)c(F)c(F)c2)c(C)c1-c1c(C)c(-c2cc(F)c(F)c(F)c2)cc(-c2cc(F)c(F)c(F)c2)c1OC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CD274 Q9NZQ7 4/20 0.34
TUBB1 Q9H4B7 1/20 0.31
PAX8 Q06710 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL4302103 0.78 TUBB1 (0.33) FFAR1FFAR4TUBB1PAX8PTGS2
SCHEMBL12880355 0.77 ALOX5 (0.43) FFAR1FFAR4CD274PTGS2
SCHEMBL548087 0.75 CD274 (0.46) CD274TUBB1PTGS2
SCHEMBL13664220 0.74 TUBB1 (0.33) FFAR1FFAR4TUBB1PAX8PTGS2
SCHEMBL14963927 0.73 RAPGEF4 (0.33) CD274
SCHEMBL12865413 0.72 FFAR1 (0.33) FFAR1FFAR4
SCHEMBL2608090 0.68 PTGS2 (0.38) CD274PAX8PTGS2
SCHEMBL4306354 0.67 PDE1A (0.36) FFAR1FFAR4
SCHEMBL4311273 0.67 FFAR1 (0.31) FFAR1FFAR4
SCHEMBL17359287 0.66 VRK1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263798-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-09-11 US disclosed
US-8252952-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-08-28 US disclosed
US-20120108846-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-05-03 US disclosed
US-20120101310-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-26 US disclosed
US-20120101309-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-26 US disclosed
US-20120095218-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095252-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-19 US disclosed
US-8110680-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-02-07 US disclosed
US-20100029935-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2010-02-04 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 (6 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-20120108846-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 FFAR1 2613/4885FFAR4 2871/4885CD274 4570/4885
US-20120101309-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 FFAR1 3412/4885FFAR4 3217/4885CD274 4572/4885
US-20120095252-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 FFAR1 2613/4885FFAR4 2871/4885CD274 4570/4885
US-20120095218-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 FFAR1 2613/4885FFAR4 2871/4885CD274 4570/4885
US-20120101310-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 FFAR1 2613/4885FFAR4 2871/4885CD274 4570/4885
US-20100029935-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 FFAR1 2613/4885FFAR4 2871/4885CD274 4570/4885

“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.