SCHEMBL4076218

SCHEMBL4076218

CC(C)CC(NCc1ccc(N)cc1)C(=O)OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 2/20 0.49
ITGB1 P05556 3/20 0.46
ITGA5 P08648 3/20 0.46
ITGB3 P05106 2/20 0.46
ITGAV P06756 2/20 0.46
MAPK14 Q16539 3/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
NPR3 P17342 1/20 0.44
PPIG Q13427 1/20 0.42
TPSAB1 Q15661 3/20 0.41
TPSD1 Q9BZJ3 3/20 0.41
TPSG1 Q9NRR2 3/20 0.41
EPHX1 P07099 1/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
ANPEP P15144 2/20 0.41
LTA4H P09960 1/20 0.41
LAP3 P28838 1/20 0.41

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
SCHEMBL4076211 1.00 PPID (0.49) PPIDITGB1ITGA5ITGB3ITGAV
SCHEMBL8207106 0.91 TPSAB1 (0.48) PPIDITGB1ITGA5ITGB3ITGAV
SCHEMBL14856593 0.89 TPSAB1 (0.49) PPIDMAPK14MAPK13MAPK12MAPK11
SCHEMBL14856517 0.88 NPR3 (0.44) PPIDMAPK14MAPK13MAPK12MAPK11
SCHEMBL13153852 0.88 NPR3 (0.44) PPIDMAPK14MAPK13MAPK12MAPK11
SCHEMBL14856518 0.88 NPR3 (0.44) PPIDMAPK14MAPK13MAPK12MAPK11
SCHEMBL16472972 0.88 NPR3 (0.44) PPIDMAPK14MAPK13MAPK12MAPK11
SCHEMBL18074199 0.86 NPR3 (0.43) PPIDMAPK14MAPK13MAPK12MAPK11
SCHEMBL20971944 0.86 NPR3 (0.43) PPIDMAPK14MAPK13MAPK12MAPK11
SCHEMBL16458225 0.86 NPR3 (0.43) PPIDMAPK14MAPK13MAPK12MAPK11

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 22 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
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
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
EP-1877098-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2013-04-24 EP disclosed
US-20090118311-A1 DHFR Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-05-07 US disclosed
EP-2013189-A1 DHFR ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2009-01-14 EP 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-1964578-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1877098-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2007132146-A1 DHFR ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-22 WO disclosed
WO-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (5 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 PPID 3036/4885ITGB1 2192/4885ITGA5 2843/4885
US-20090118311-A1 DHFR Enzyme Inhibitors DHFR, MTHFD1, ALDH7A1 PPID 2510/4885ITGB1 4197/4885ITGA5 4052/4885
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP PPID 3036/4885ITGB1 2192/4885ITGA5 2843/4885
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP PPID 3036/4885ITGB1 2192/4885ITGA5 2843/4885
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP PPID 3036/4885ITGB1 2192/4885ITGA5 2843/4885

“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.