SCHEMBL5128985

SCHEMBL5128985

CN(C)C(=O)C(N)Cc1ccc(Oc2ccc(C(=O)NO)c(OC(F)(F)F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
PPARA Q07869 4/20 0.36
PPARD Q03181 2/20 0.36
PPARG P37231 4/20 0.36
ACACB O00763 1/20 0.36
EPHX2 P34913 2/20 0.36
MAPK14 Q16539 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SCN9A Q15858 2/20 0.35
OPRK1 P41145 1/20 0.34

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
SCHEMBL4596689 0.88 TP53 (0.42) PPARAPPARDPPARG
SCHEMBL4598180 0.86 BRAF (0.38) PTPN1PPARAPPARDPPARGEPHX2
SCHEMBL5125952 0.85 SLC1A3 (0.39) PTPN1PPARAPPARDPPARGSCN9A
SCHEMBL5129744 0.83 MMP9 (0.38) PPARAPPARDPPARGEPHX2MAPK14
SCHEMBL14003044 0.79 HDAC6 (0.47) PPARAPPARGEPHX2MAPK14OPRK1
Hydrochloric Acid SCHEMBL4598799 0.78 HDAC6 (0.46) PPARAPPARGEPHX2MAPK14OPRK1
SCHEMBL4598564 0.77 HDAC8 (0.55) PPARAPPARDPPARG
SCHEMBL4758324 0.75 OPRM1 (0.45) SLC6A2SLC6A4OPRK1
SCHEMBL5125574 0.73 HDAC8 (0.49) MAPK14
SCHEMBL14021732 0.72 HDAC1 (0.43)

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-20080200521-A1 Novel hydroxamic acid containing amino acid derivatives BEXEL PHARMACEUTICALS. INC. 2008-08-21 US claimed
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives BEXEL PHARMACEUTICALS, INC. 2007-01-04 US claimed

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-20080200521-A1 Novel hydroxamic acid containing amino acid derivatives HGFAC, HCAR2, BCAT1 PTPN1 2671/4885SLC6A2 3475/4885SLC6A4 2358/4885
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives HGFAC, HCAR2, BCAT1 PTPN1 2639/4885SLC6A2 3672/4885SLC6A4 2538/4885

“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.