SCHEMBL995705

SCHEMBL995705

CC(C)(C)OC(=O)C(CCO)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.57
CTSK P43235 9/20 0.54
CTSS P25774 7/20 0.53
CTSL P07711 5/20 0.53
CTSB P07858 3/20 0.53
PPARA Q07869 1/20 0.51
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
KYNU Q16719 1/20 0.48

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
SCHEMBL2619553 1.00 SYK (0.57) SYKCTSKCTSSCTSLCTSB
SCHEMBL376154 1.00 SYK (0.57) SYKCTSKCTSSCTSLCTSB
SCHEMBL7222412 0.93 SYK (0.55) SYKCTSKCTSSCTSLCTSB
SCHEMBL5970655 0.93 SYK (0.55) SYKCTSKCTSSCTSLCTSB
SCHEMBL30649083 0.91 SYK (0.54) SYKCTSKCTSSCTSLCTSB
SCHEMBL10166824 0.91 SYK (0.54) SYKCTSKCTSSCTSLCTSB
SCHEMBL14207360 0.90 CTSK (0.63) SYKCTSKCTSSCTSLCTSB
SCHEMBL13205156 0.90 PPARA (0.57) SYKCTSKCTSSCTSLCTSB
SCHEMBL1094804 0.90 PPARA (0.57) SYKCTSKCTSSCTSLCTSB
SCHEMBL1094803 0.90 PPARA (0.57) SYKCTSKCTSSCTSLCTSB

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 29 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
WO-2021053158-A1 NOVEL HISTONE METHYLTRANSFERASE INHIBITORS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2021-03-25 WO 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
EP-1877098-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2013-04-24 EP disclosed
US-8148531-B2 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2012-04-03 US disclosed
EP-1877383-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
EP-1877098-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117552-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
EP-1718639-A2 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2006-11-08 EP disclosed
US-20050233979-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-10-20 US disclosed
WO-2005085236-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-09-15 WO disclosed
US-6057314-A ANTICOAGULANTS BIOCHEM PHARMA INC. (CA) 2000-05-02 US disclosed
EP-0802916-A1 LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS BIOCHEM PHARMA INC (CA) 1997-10-29 EP disclosed
WO-1996019483-A1 LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS BIOCHEM PHARMA INC. (CA) 1996-06-27 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 SYK 1716/4885CTSK 723/4885CTSS 462/4885
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP SYK 1716/4885CTSK 723/4885CTSS 462/4885
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP SYK 1716/4885CTSK 723/4885CTSS 462/4885
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP SYK 1716/4885CTSK 723/4885CTSS 462/4885
US-20050233979-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP3 SYK 1311/4885CTSK 67/4885CTSS 65/4885

“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.