SCHEMBL1610780

SCHEMBL1610780

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.44
SIGMAR1 Q99720 2/20 0.41
KMT2A Q03164 3/20 0.40
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
OPRM1 P35372 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL8272898 1.00 ACACB (0.44) ACACBSIGMAR1KMT2ASLC5A1SLC5A2
SCHEMBL12714125 0.85 CYP4F2 (0.39) KMT2A
SCHEMBL8270746 0.84 EPHX1 (0.41) ACACB
SCHEMBL2248890 0.84 EPHX1 (0.41) ACACB
SCHEMBL1609697 0.80 PPARG (0.47) ACACBSIGMAR1KMT2ASLC5A1SLC5A2
SCHEMBL8272902 0.80 PPARG (0.47) ACACBSIGMAR1KMT2ASLC5A1SLC5A2
SCHEMBL12549301 0.76 ACACB (0.48) ACACBSIGMAR1KMT2ASLC5A1SLC5A2
SCHEMBL27301091 0.76 ACACB (0.48) ACACBSIGMAR1KMT2ASLC5A1SLC5A2
SCHEMBL27028893 0.75 S1PR2 (0.49) ACACBSIGMAR1KMT2ASLC5A1SLC5A2
SCHEMBL27130219 0.75 S1PR2 (0.49) ACACBSIGMAR1KMT2ASLC5A1SLC5A2

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 28 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-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
EP-1660471-B1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2011-05-04 EP disclosed
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2011-04-14 US disclosed
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors LABORATOIRES SERONO S.A. (CH) 2010-11-04 US disclosed
US-7358265-B2 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (R&D) LTD 2008-04-15 US disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US disclosed
EP-1476438-B1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2007-04-18 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
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-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 (6 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 ACACB 1647/4885SIGMAR1 2540/4885KMT2A 3689/4885
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD ACACB 706/4885SIGMAR1 1801/4885KMT2A 1561/4885
US-20060281920-A1 Derivatives of hydroxamic acid as metalloproteinase inhibitors MMP13, MMP3, MMP1 ACACB 849/4885SIGMAR1 3505/4885KMT2A 2069/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD ACACB 687/4885SIGMAR1 1849/4885KMT2A 1515/4885
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors MMP3, MMP1, MMP13 ACACB 1393/4885SIGMAR1 4763/4885KMT2A 1347/4885
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 ACACB 2908/4885SIGMAR1 594/4885KMT2A 4503/4885

“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.