SCHEMBL13038893

SCHEMBL13038893

COC(=O)[C@@H](O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.49
EPHX2 P34913 4/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
LTA4H P09960 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
EPHX1 P07099 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FPR2 P25090 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
VNN1 O95497 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL1828414 1.00 ACACB (0.49) ACACBEPHX2PPARGPPARAALDH1A1
SCHEMBL1825906 0.78 PTPN1 (0.50) ACACBEPHX2PPARGPPARAEPHX1
SCHEMBL1825908 0.78 PTPN1 (0.50) ACACBEPHX2PPARGPPARAEPHX1
SCHEMBL4366038 0.77 ACACB (0.60) ACACBEPHX2PPARGPPARAALDH1A1
SCHEMBL5926702 0.77 PTPN1 (0.52) ACACBEPHX2PPARGPPARAALDH1A1
SCHEMBL6775559 0.77 ACACB (0.60) ACACBEPHX2PPARGPPARAALDH1A1
Hydrochloric Acid SCHEMBL5926557 0.76 PTPN1 (0.51) ACACBEPHX2PPARGPPARAALDH1A1
SCHEMBL20586417 0.74 PTPN1 (0.55) ACACBEPHX2PPARGPPARALTA4H
SCHEMBL18247995 0.74 PTPN1 (0.55) ACACBEPHX2PPARGPPARALTA4H
SCHEMBL24534589 0.74 PDE2A (0.49) ACACBEPHX2PPARGPPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors MMP3, MMP1, MMP13 ACACB 1393/4885EPHX2 671/4885PPARG 1204/4885

“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.