SCHEMBL4598533

SCHEMBL4598533

CN(C)C(=O)C(Cc1ccc(Oc2ccc(C=O)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CTSS P25774 7/20 0.44
CTSK P43235 6/20 0.44
CTSB P07858 2/20 0.43
CTSL P07711 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ACE P12821 1/20 0.42
MMP13 P45452 1/20 0.41
ABCB1 P08183 1/20 0.41
BCL2 P10415 1/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
PTPN1 P18031 2/20 0.41
MMP14 P50281 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL14003045 1.00 ITGB3 (0.47) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL3867713 0.88 ITGB3 (0.60) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL3867720 0.88 ITGB3 (0.60) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL3868288 0.87 KLK5 (0.50) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL3868286 0.87 KLK5 (0.50) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL4826858 0.86 ITGB3 (0.50) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL14003050 0.86 ITGB3 (0.50) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL14021662 0.85 ITGB3 (0.49) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL4597076 0.85 ITGB3 (0.49) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL5151169 0.84 CTSS (0.46) ITGB3ITGA2BCTSSCTSKCTSB

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 ITGB3 3012/4885ITGA2B 1533/4885CTSS 1501/4885
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives HGFAC, HCAR2, BCAT1 ITGB3 2787/4885ITGA2B 1615/4885CTSS 1585/4885

“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.