SCHEMBL1151094

SCHEMBL1151094

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SYK P43405 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CTSS P25774 1/20 0.47
LMNA P02545 2/20 0.47
IDO1 P14902 1/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
PSMB5 P28074 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL1728479 0.88 SYK (0.53) MEN1KMT2ASYKSMN1; SMN2NPC1
SCHEMBL22468533 0.88 MEN1 (0.66) MEN1KMT2ASYKSMN1; SMN2NPC1
SCHEMBL15056984 0.85 KMT2A (0.56) MEN1KMT2ASYKSMN1; SMN2NPC1
SCHEMBL1151456 0.85 SYK (0.53) MEN1KMT2ASYKSMN1; SMN2NPC1
SCHEMBL1151458 0.85 SYK (0.53) MEN1KMT2ASYKSMN1; SMN2NPC1
SCHEMBL10349980 0.84 ALDH1A1 (0.58) MEN1KMT2ASYKSMN1; SMN2NPC1
SCHEMBL503402 0.84 MEN1 (0.57) MEN1KMT2ASYKSMN1; SMN2NPC1
SCHEMBL8476244 0.84 MEN1 (0.54) MEN1KMT2ASYKSMN1; SMN2NPC1
SCHEMBL6444094 0.83 MEN1 (0.56) MEN1KMT2ASYKSMN1; SMN2NPC1
SCHEMBL2268248 0.82 MEN1 (0.55) MEN1KMT2ASYKSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-8778953-B2 Inhibitors of P38 map kinase CHROMA THERAPEUTICS LTD. (GB) 2014-07-15 US disclosed
US-8778953-B2 Inhibitors of P38 map kinase CHROMA THERAPEUTICS LTD. (GB) 2014-07-15 US disclosed
US-8778953-B2 Inhibitors of P38 map kinase CHROMA THERAPEUTICS LTD. (GB) 2014-07-15 US disclosed
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2014-03-27 US disclosed
US-20110034520-A1 Inhibitors of P38 Map Kinase MACROPHAGE PHARMA LIMITED (GB) 2011-02-10 US disclosed
US-20110034520-A1 Inhibitors of P38 Map Kinase MACROPHAGE PHARMA LIMITED (GB) 2011-02-10 US disclosed
US-20110034520-A1 Inhibitors of P38 Map Kinase MACROPHAGE PHARMA LIMITED (GB) 2011-02-10 US disclosed
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION c/o Chroma Therapeutics Ltd. (GB) 2010-12-16 US disclosed
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION c/o Chroma Therapeutics Ltd. (GB) 2010-12-16 US disclosed
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION c/o Chroma Therapeutics Ltd. (GB) 2010-12-16 US disclosed
CN-101600691-A Acyclic derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2009-12-09 CN disclosed
WO-2009130475-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD., (GB) 2009-10-29 WO disclosed
WO-2009106848-A2 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2009-09-03 WO disclosed
WO-2009106844-A1 INHIBITORS OF P38 MAP KINASE CHROMA THERAPEUTICS LTD. (GB) 2009-09-03 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-20140088159-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 MEN1 3766/4885KMT2A 2987/4885SYK 2032/4885
US-20110034520-A1 Inhibitors of P38 Map Kinase MAPK3, MAPK1, MAPKAPK3 MEN1 1971/4885KMT2A 3032/4885SYK 314/4885
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 MEN1 3766/4885KMT2A 2987/4885SYK 2032/4885
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 MEN1 3766/4885KMT2A 2987/4885SYK 2032/4885

“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.