SCHEMBL4598613

SCHEMBL4598613

CC(C)(C)OC(=O)NC(Cc1ccc(Oc2ccc(C(=O)NO)cc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.51
CTSS P25774 2/20 0.49
PPARA Q07869 2/20 0.49
MMP13 P45452 1/20 0.49
PPARG P37231 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
BCL2 P10415 1/20 0.49
TACR1 P25103 1/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
ACE P12821 2/20 0.48
PTPN1 P18031 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
KLK5 Q9Y337 1/20 0.47

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
SCHEMBL14003018 1.00 HDAC8 (0.51) HDAC8CTSSPPARAMMP13PPARG
SCHEMBL4598735 0.91 CTSS (0.52) HDAC8CTSSPPARAPPARGCTSL
SCHEMBL14003011 0.91 CTSS (0.52) HDAC8CTSSPPARAPPARGCTSL
SCHEMBL4597543 0.90 NPC1 (0.51) CTSSPPARAPPARGCTSLCTSB
SCHEMBL14003027 0.90 NPC1 (0.51) CTSSPPARAPPARGCTSLCTSB
SCHEMBL4827250 0.87 ITGB3 (0.59) HDAC8CTSSPPARAMMP13PPARG
SCHEMBL14003031 0.87 ITGB3 (0.59) HDAC8CTSSPPARAMMP13PPARG
SCHEMBL3355326 0.85 CTSS (0.64) CTSSPPARACTSLCTSBCTSK
SCHEMBL85543 0.85 CTSS (0.64) CTSSPPARACTSLCTSBCTSK
SCHEMBL22404737 0.85 CTSS (0.64) CTSSPPARACTSLCTSBCTSK

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 HDAC8 154/4885CTSS 1501/4885PPARA 355/4885
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives HGFAC, HCAR2, BCAT1 HDAC8 176/4885CTSS 1585/4885PPARA 446/4885

“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.