SCHEMBL4597882

SCHEMBL4597882

NC(Cc1ccc(Oc2cccc(C(=O)NO)c2)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.64
SLC7A5 Q01650 4/20 0.53
SMPD1 P17405 6/20 0.51
TPH1 P17752 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
ITGA2B P08514 1/20 0.49
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL4597924 0.88 HDAC8 (0.53) HDAC8SLC7A5HDAC1HDAC6ALPI
SCHEMBL14003025 0.87 SLC7A5 (0.51) SLC7A5TPH1HDAC1HDAC6ITGB3
SCHEMBL4598073 0.87 SLC7A5 (0.51) SLC7A5TPH1HDAC1HDAC6ITGB3
SCHEMBL4598564 0.86 HDAC8 (0.55) HDAC8SMPD1HDAC1HDAC6ALDH1A1
SCHEMBL4596794 0.86 TPH1 (0.50) SLC7A5TPH1HDAC1HDAC6ITGB3
Hydrochloric Acid SCHEMBL4597708 0.86 TPH1 (0.50) SLC7A5TPH1HDAC1HDAC6ITGB3
SCHEMBL9541991 0.83 SLC7A5 (0.60) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL4596780 0.82 HDAC8 (0.51) HDAC8SMPD1TPH1HDAC1HDAC6
SCHEMBL29584001 0.81 SLC7A5 (0.70) SLC7A5TPH1ITGB3ITGA2BALPI
SCHEMBL515521 0.81 SLC7A5 (0.70) SLC7A5TPH1ITGB3ITGA2BALPI

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 4 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
EP-1906731-A2 NOVEL HYDROXAMIC ACID-CONTAINING AMINO ACID DERIVATIVES Bexel Pharmaceuticals Inc (US) 2008-04-09 EP claimed
WO-2007005603-A2 NOVEL HYDROXAMIC ACID-CONTAINING AMINO ACID DERIVATIVES BEXEL PHARMACEUTICALS, INC. (US) 2007-01-11 WO 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 HDAC8 154/4885SLC7A5 51/4885SMPD1 2769/4885
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives HGFAC, HCAR2, BCAT1 HDAC8 176/4885SLC7A5 79/4885SMPD1 2995/4885

“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.