SCHEMBL4598073

SCHEMBL4598073

NC(Cc1ccc(Oc2ccc(C(=O)NO)cc2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.51
TPH1 P17752 6/20 0.51
PTPN1 P18031 2/20 0.51
PTGS1 P23219 2/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
XIAP P98170 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
EPHX2 P34913 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
GRB2 P62993 1/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
EGFR P00533 1/20 0.48
LCK P06239 1/20 0.48

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
SCHEMBL14003025 1.00 SLC7A5 (0.51) SLC7A5TPH1PTPN1PTGS1ITGB3
SCHEMBL4596794 0.99 TPH1 (0.50) SLC7A5TPH1PTPN1PTGS1ITGB3
Hydrochloric Acid SCHEMBL4597708 0.99 TPH1 (0.50) SLC7A5TPH1PTPN1PTGS1ITGB3
SCHEMBL4828572 0.89 HDAC6 (0.49) TPH1HDAC3HDAC6NCOR2EPHX2
SCHEMBL4597924 0.87 HDAC8 (0.53) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL4597882 0.87 HDAC8 (0.64) SLC7A5TPH1PTPN1PTGS1ITGB3
SCHEMBL14003044 0.84 HDAC6 (0.47) HDAC3HDAC6NCOR2EPHX2PPARG
SCHEMBL14002998 0.83 SMN1; SMN2 (0.51) TPH1HDAC6EPHX2PPARGPPARA
Hydrochloric Acid SCHEMBL4598799 0.83 HDAC6 (0.46) HDAC3HDAC6NCOR2EPHX2PPARG
SCHEMBL4598163 0.83 HDAC6 (0.44) HDAC3HDAC6NCOR2EPHX2PPARG

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 9 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 claimed
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
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
US-20080200521-A1 Novel hydroxamic acid containing amino acid derivatives BEXEL PHARMACEUTICALS. INC. 2008-08-21 US 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 SLC7A5 51/4885TPH1 583/4885PTPN1 2671/4885
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives HGFAC, HCAR2, BCAT1 SLC7A5 79/4885TPH1 531/4885PTPN1 2639/4885

“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.