SCHEMBL375865

SCHEMBL375865

CC(C)(C)OC(=O)N[C@](CCBr)(C(=O)O)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
EPHX1 P07099 1/20 0.38
BTK Q06187 1/20 0.37
GAA P10253 2/20 0.36
AAK1 Q2M2I8 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CACNA1B Q00975 3/20 0.32
KMT2A Q03164 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SSTR4 P31391 1/20 0.31
AKT1 P31749 1/20 0.31
ACE P12821 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL376033 1.00 CTSS (0.40) CTSSCTSKEPHX1BTKGAA
SCHEMBL490642 0.87 CTSS (0.41) CTSSCTSKEPHX1BTKGAA
SCHEMBL1147463 0.87 CTSS (0.41) CTSSCTSKEPHX1BTKGAA
SCHEMBL27757442 0.86 CTSS (0.40) CTSSCTSKEPHX1BTKGAA
SCHEMBL4848668 0.84 EPHX1 (0.40) CTSSCTSKEPHX1BTKGAA
SCHEMBL4848663 0.84 EPHX1 (0.40) CTSSCTSKEPHX1BTKGAA
SCHEMBL16469900 0.83 EPHX1 (0.43) CTSSCTSKEPHX1BTKGAA
SCHEMBL16470240 0.82 EPHX1 (0.42) CTSSCTSKEPHX1BTKGAA
SCHEMBL375738 0.81 EPHX1 (0.38) CTSSCTSKEPHX1BTKGAA
SCHEMBL490856 0.80 CTSK (0.39) CTSSCTSKEPHX1BTKGAA

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 17 patents. 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
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
EP-1877098-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2013-04-24 EP disclosed
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP disclosed
EP-2297128-A1 INHIBITORS OF IKK- SERINE-THREONINE PROTEIN KINASE Chroma Therapeutics Ltd. (GB) 2011-03-23 EP disclosed
US-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2011-02-17 US disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
US-20090215800-A1 Enzyme and Receptor Modulation CHROMA THERAPEUTICS LTD (GB) 2009-08-27 US 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
WO-2007129020-A1 PYRIMIDINE DERIVATIVES USEFUL AS DHFR INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 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 (7 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 CTSS 462/4885CTSK 723/4885EPHX1 358/4885
US-20090215800-A1 Enzyme and Receptor Modulation CES1, HCAR1, DNPEP CTSS 462/4885CTSK 723/4885EPHX1 358/4885
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase IKBKB, IKBKE, CHUK CTSS 2844/4885CTSK 2888/4885EPHX1 986/4885
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CTSS 462/4885CTSK 723/4885EPHX1 358/4885
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CTSS 462/4885CTSK 723/4885EPHX1 358/4885
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CTSS 462/4885CTSK 723/4885EPHX1 358/4885
US-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CSNK1E, PACSIN2, CHUK CTSS 1123/4885CTSK 840/4885EPHX1 3643/4885

“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.