SCHEMBL4304698

SCHEMBL4304698

CCOc1cc(C(=O)OC)c(Br)c(OCC)c1OCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
GLA P06280 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
SCHEMBL4305124 0.84 TSHR (0.63) TSHRHSD17B10LMNASMN1; SMN2KMT2A
SCHEMBL11928957 0.84 TDP1 (0.49) TSHRHSD17B10TDP1LMNASMN1; SMN2
SCHEMBL13664126 0.84 THRA (0.43) TSHRSMN1; SMN2KMT2AMEN1GAA
SCHEMBL9049767 0.80 TSHR (0.58) TSHRHSD17B10LMNASMN1; SMN2NCOA1
SCHEMBL11929031 0.79 TSHR (0.49) TSHRHSD17B10TDP1LMNASMN1; SMN2
SCHEMBL7802388 0.78 TDP1 (0.52) TSHRHSD17B10TDP1LMNASMN1; SMN2
SCHEMBL4307561 0.77 LMNA (0.56) TSHRHSD17B10TDP1LMNASMN1; SMN2
SCHEMBL21828876 0.77 SMN1; SMN2 (0.50) TSHRTDP1SMN1; SMN2KMT2AGAA
SCHEMBL17560160 0.77 TSHR (0.71) TSHRHSD17B10TDP1LMNASMN1; SMN2
SCHEMBL31634962 0.76 TDP1 (0.48) TSHRHSD17B10TDP1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614316-B2 Optically active quaternary ammonium salt having axial asymmetry and process for producing α-amino acid and derivative thereof with the same NAGASE & CO., LTD. (JP) 2013-12-24 US disclosed
EP-2484667-A1 Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same NAGASE & COMPANY, LTD. (JP) 2012-08-08 EP disclosed
EP-2484667-A1 Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same NAGASE & COMPANY, LTD. (JP) 2012-08-08 EP disclosed
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 US disclosed
EP-1797049-A4 1,2,4-TRIAZOLYLAMINOARYL (HETEROARYL) SULFONAMIDE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-06-17 EP disclosed
EP-1870403-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING -AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & COMPANY, LTD. (JP) 2007-12-26 EP disclosed
EP-1870403-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING -AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & COMPANY, LTD. (JP) 2007-12-26 EP disclosed
EP-1797049-A1 1,2,4-TRIAZOLYLAMINOARYL (HETEROARYL) SULFONAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-20 EP disclosed
WO-2006042215-A1 1,2,4-TRIAZOLYLAMINOARYL (HETEROARYL) SULFONAMIDE DERIVATIVES JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-20 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 (1 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-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME BCAT1, BCAT2, AADAT TSHR 3260/4885HSD17B10 1492/4885TDP1 3405/4885

“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.