SCHEMBL436559

SCHEMBL436559

CC(=O)C(Br)c1ccc(Cl)c(S(C)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
LMNA P02545 1/20 0.37
BRD4 O60885 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
SCN9A Q15858 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2393604 0.86 CA1 (0.46) CA1CA2
SCHEMBL21215066 0.83 AKR1C3 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL48556 0.81 NR1H2 (0.34) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4940750 0.80 SLC6A3 (0.49) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL21301601 0.79 AKR1C3 (0.45) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL48747 0.78 L3MBTL1 (0.52) LMNAATAD2CECR2ALDH1A1L3MBTL1
SCHEMBL48662 0.78 PIK3CD (0.39) LMNAPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2393783 0.77 CA1 (0.42) CA1CA2
SCHEMBL21301536 0.77 AKR1C3 (0.41) SLC6A2SLC6A4SLC6A3LMNABRD4
SCHEMBL1495554 0.77 CYP3A4 (0.42) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-11-25 US disclosed
EP-3530290-A1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-28 EP disclosed
EP-3530290-A1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-28 EP disclosed
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2019-08-01 US disclosed
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LIMITED (GB) 2018-01-04 US disclosed
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LIMITED (GB) 2018-01-04 US disclosed
EP-1964577-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GLAXOSMITHKLINE IP DEV LTD (GB) 2016-04-13 EP disclosed
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-07 US disclosed
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-07 US disclosed
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-07 US disclosed
EP-1964577-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1964577-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1964578-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1887359-A1 Methods for the identification of PI3K interacting molecules and for the purification of PI3K CELLZOME AG (DE) 2008-02-13 EP disclosed
EP-1887359-A1 Methods for the identification of PI3K interacting molecules and for the purification of PI3K CELLZOME AG (DE) 2008-02-13 EP disclosed
WO-2008015013-A1 METHODS FOR THE IDENTIFICATION OF PI3K INTERACTING MOLECULES AND FOR THE PURIFICATION OF PI3K CELLZOME AG (DE) 2008-02-07 WO disclosed
EP-1877098-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2007129048-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASE CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed
WO-2007129048-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASE CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed
WO-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (4 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-20180000952-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP SLC6A2 2898/4885SLC6A4 2326/4885SLC6A3 2991/4885
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP SLC6A2 2898/4885SLC6A4 2326/4885SLC6A3 2991/4885
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP SLC6A2 2898/4885SLC6A4 2326/4885SLC6A3 2991/4885
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP SLC6A2 2898/4885SLC6A4 2326/4885SLC6A3 2991/4885

“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.