SCHEMBL1827654

SCHEMBL1827654

CC1(C)OC(=O)[C@H]([C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)O)O1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.43
PPARG P37231 4/20 0.43
EPHX2 P34913 3/20 0.43
ACACB O00763 1/20 0.39
PTPN1 P18031 1/20 0.39
FPR2 P25090 1/20 0.39
PPARD Q03181 4/20 0.37
EPHX1 P07099 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACE P12821 1/20 0.35
HSD11B1 P28845 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
SCHEMBL2247462 0.87 PPARG (0.38) PPARAPPARGEPHX2EPHX1NR1H4
SCHEMBL8272997 0.87 PPARG (0.38) PPARAPPARGEPHX2EPHX1NR1H4
SCHEMBL27659006 0.86 EPHX2 (0.37) PPARAPPARGEPHX2ACACBEPHX1
SCHEMBL1825297 0.86 EPHX2 (0.37) PPARAPPARGEPHX2ACACBEPHX1
SCHEMBL13038891 0.85 EPHX2 (0.36) PPARAPPARGEPHX2ACACBPTPN1
SCHEMBL8271393 0.82 CYP1A2 (0.40)
SCHEMBL3876908 0.80 CHRM4 (0.46)
SCHEMBL2249003 0.80 CHRM4 (0.46)
SCHEMBL2550208 0.80 CHRM4 (0.46)
SCHEMBL27659011 0.78 HSD11B1 (0.37) GLAHSD11B1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660471-B1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2011-05-04 EP disclosed
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors LABORATOIRES SERONO S.A. (CH) 2010-11-04 US disclosed
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors LABORATOIRES SERONO S.A. (CH) 2010-11-04 US disclosed
US-7786121-B2 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2010-08-31 US disclosed
US-7786121-B2 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2010-08-31 US 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-2005019194-A1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LIMITED (GB) 2005-03-03 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 (2 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-20060281920-A1 Derivatives of hydroxamic acid as metalloproteinase inhibitors MMP13, MMP3, MMP1 PPARA 2415/4885PPARG 2270/4885EPHX2 336/4885
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors MMP3, MMP1, MMP13 PPARA 1487/4885PPARG 1204/4885EPHX2 671/4885

“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.