SCHEMBL1609487

SCHEMBL1609487

CCOc1ccc(CCC[C@@H](C(=O)O)[C@@H]2OC(C)(C)OC2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACACB O00763 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL8271362 1.00 SMN1; SMN2 (0.39) SMN1; SMN2POLBALDH1A1CYP2C9CYP2C19
SCHEMBL2252331 0.89 GLA (0.46) ALDH1A1PPARGPPARAL3MBTL1LTB4R
SCHEMBL12714121 0.85 FFAR1 (0.35) SMN1; SMN2ALDH1A1PPARGPPARAFFAR1
SCHEMBL8272997 0.85 PPARG (0.38) PPARGPPARAFFAR1FFAR4
SCHEMBL1610669 0.85 ACACB (0.35) ALDH1A1ACACBMAPK1NPC1MAPT
SCHEMBL1828390 0.85 ALDH1A1 (0.41) SMN1; SMN2POLBALDH1A1ACACBMAPK1
SCHEMBL7160726 0.85 KMT2A (0.40) SMN1; SMN2PPARGPPARAMAPK1MAPT
SCHEMBL8300025 0.84 ACACB (0.39) ACACBMAPK1NPC1MAPTLMNA
SCHEMBL12739396 0.82 ACACB (0.37) SMN1; SMN2ALDH1A1ACACBMAPK1MAPT
SCHEMBL2244670 0.80 ADORA3 (0.43) ALDH1A1MAPTL3MBTL1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
EP-1660471-B1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2011-05-04 EP disclosed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP disclosed
US-20060281920-A1 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2006-12-14 US disclosed
EP-1660471-A1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS Vernalis (Oxford) Ltd (GB) 2006-05-31 EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed
US-20050222189-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (OXFORD) LTD (GB) 2005-10-06 US disclosed
WO-2005019194-A1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LIMITED (GB) 2005-03-03 WO disclosed
WO-2005019194-A1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LIMITED (GB) 2005-03-03 WO disclosed
WO-2004101537-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LTD (GB) 2004-11-25 WO disclosed
EP-1476438-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS Vernalis (Oxford) Ltd (GB) 2004-11-17 EP disclosed
WO-2003070711-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2003-08-28 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 (3 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-20050222189-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP9, TIMP3, MMP13 SMN1; SMN2 2499/4885POLB 323/4885ALDH1A1 219/4885
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD SMN1; SMN2 1322/4885POLB 2290/4885ALDH1A1 354/4885
US-20060281920-A1 Derivatives of hydroxamic acid as metalloproteinase inhibitors MMP13, MMP3, MMP1 SMN1; SMN2 903/4885POLB 2657/4885ALDH1A1 952/4885

“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.