SCHEMBL4596689

SCHEMBL4596689

COc1cc(Oc2ccc(CC(N)C(=O)N(C)C)cc2)ccc1C(=O)NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
HDAC11 Q96DB2 1/20 0.41
MAPT P10636 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
PPARD Q03181 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 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
SCHEMBL5128985 0.88 PTPN1 (0.38) PPARGPPARAPPARD
SCHEMBL5129744 0.87 MMP9 (0.38) PPARGPPARAPPARDCARM1PRMT6
SCHEMBL5125952 0.86 SLC1A3 (0.39) PPARGPPARAPPARDCARM1PRMT6
SCHEMBL4598180 0.85 BRAF (0.38) GAAPPARGPPARAPPARDHDAC1
SCHEMBL14003044 0.82 HDAC6 (0.47) CA1CA2ALDH1A1HPGDHTT
Hydrochloric Acid SCHEMBL4598799 0.81 HDAC6 (0.46) CA1CA2ALDH1A1HPGDHTT
SCHEMBL4598564 0.81 HDAC8 (0.55) ALDH1A1PPARGPPARAPPARDHDAC8
SCHEMBL5125574 0.76 HDAC8 (0.49) HPGDHDAC8HDAC1
SCHEMBL4758324 0.76 OPRM1 (0.45) HDAC8CARM1PRMT6HDAC3HDAC1
SCHEMBL23935517 0.76 SLC7A5 (0.50) HDAC11ALDH1A1PPARGMEN1KMT2A

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 TP53 3866/4885HDAC11 421/4885MAPT 4296/4885
US-20070004776-A1 Novel hydroxamic acid-containing amino acid derivatives HGFAC, HCAR2, BCAT1 TP53 3826/4885HDAC11 465/4885MAPT 4093/4885

“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.