SCHEMBL548087

SCHEMBL548087

COc1ccc(-c2cc(F)c(F)c(F)c2)c(C)c1-c1c(OC)ccc(-c2cc(F)c(F)c(F)c2)c1C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.46
TUBB1 Q9H4B7 3/20 0.45
PTGS2 P35354 7/20 0.43
PTGS1 P23219 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2608090 0.79 PTGS2 (0.38) CD274PTGS2PTGS1
SCHEMBL548987 0.77 TUBB1 (0.41) CD274TUBB1PTGS2PTGS1
SCHEMBL10120028 0.77 PTGS2 (0.41) TUBB1PTGS2PTGS1
SCHEMBL2626383 0.77 TUBB1 (0.41) CD274TUBB1PTGS2PTGS1
SCHEMBL28441006 0.76 AKR1C3 (0.50)
SCHEMBL548615 0.75 FFAR1 (0.36) CD274TUBB1PTGS2
SCHEMBL27006307 0.74 ESR1 (0.58) TUBB1
SCHEMBL16852485 0.72 CD274 (0.47) CD274TUBB1PTGS2PTGS1
SCHEMBL12656020 0.72 PTGS2 (0.43) CD274TUBB1PTGS2PTGS1
SCHEMBL15265094 0.72 ERN1 (0.42) CD274TUBB1L3MBTL1

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 20 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-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-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-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-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-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-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-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-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-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
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
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 CD274 4570/4885TUBB1 798/4885PTGS2 4706/4885
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 CD274 4572/4885TUBB1 821/4885PTGS2 4796/4885
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 CD274 4570/4885TUBB1 798/4885PTGS2 4706/4885
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 CD274 4570/4885TUBB1 798/4885PTGS2 4706/4885
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 CD274 4570/4885TUBB1 798/4885PTGS2 4706/4885
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 CD274 4570/4885TUBB1 798/4885PTGS2 4706/4885

“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.