SCHEMBL4597914

SCHEMBL4597914

CN(C)C(=O)C(Cc1ccc(Oc2ccc(C(=O)NO)cn2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.48
SORT1 Q99523 2/20 0.48
SCN9A Q15858 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
CTSS P25774 4/20 0.40
CTSK P43235 4/20 0.40
CTSA P10619 2/20 0.40
PTPN1 P18031 1/20 0.40
MMP14 P50281 1/20 0.39
OPRK1 P41145 1/20 0.39
BCL2 P10415 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL14003081 1.00 GRN (0.48) GRNSORT1SCN9AHDAC8ITGB3
SCHEMBL4610061 0.91 GRN (0.47) GRNSORT1SCN9AHDAC8ITGB3
SCHEMBL14003078 0.91 GRN (0.47) GRNSORT1SCN9AHDAC8ITGB3
SCHEMBL14003076 0.90 LMNA (0.44) GRNSORT1SCN9AHDAC8ITGB3
SCHEMBL4819360 0.90 LMNA (0.44) GRNSORT1SCN9AHDAC8ITGB3
SCHEMBL4825051 0.89 HDAC8 (0.47) HDAC8ITGB3ITGA2BMMP9MMP8
SCHEMBL14003055 0.89 HDAC8 (0.47) HDAC8ITGB3ITGA2BMMP9MMP8
SCHEMBL14027756 0.86 OPRM1 (0.45) GRNSORT1SCN9AHDAC8OPRM1
SCHEMBL14625746 0.86 OPRM1 (0.46) GRNSORT1SCN9AHDAC8OPRM1
SCHEMBL14003068 0.81 OPRM1 (0.48) GRNSORT1HDAC8OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456292-B2 Hydroxamic acid-containing amino acid derivatives BEXEL PHARMACEUTICALS, INC. (US) 2008-11-25 US disclosed
US-20080200521-A1 Novel hydroxamic acid containing amino acid derivatives BEXEL PHARMACEUTICALS. INC. 2008-08-21 US disclosed
EP-1906731-A2 NOVEL HYDROXAMIC ACID-CONTAINING AMINO ACID DERIVATIVES Bexel Pharmaceuticals Inc (US) 2008-04-09 EP disclosed
WO-2007005603-A2 NOVEL HYDROXAMIC ACID-CONTAINING AMINO ACID DERIVATIVES BEXEL PHARMACEUTICALS, INC. (US) 2007-01-11 WO disclosed
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives BEXEL PHARMACEUTICALS, INC. 2007-01-04 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 (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 GRN 3670/4885SORT1 2703/4885SCN9A 4352/4885
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives HGFAC, HCAR2, BCAT1 GRN 3309/4885SORT1 2657/4885SCN9A 4421/4885

“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.