SCHEMBL6501523

SCHEMBL6501523

CC(C)(C)OC(=O)N(N)C(=O)c1ccc(C(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.40
PKM P14618 1/20 0.37
LIG1 P18858 1/20 0.37
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GRM6 O15303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7362268 0.88 HPGD (0.44) HDAC3HDAC4HDAC1HDAC6GRM6
SCHEMBL5737167 0.76 MAPT (0.42) HDAC3HDAC1ALDH1A1
SCHEMBL8549436 0.75 DAO (0.48) DAOPKMLIG1HDAC3HDAC4
SCHEMBL4514786 0.74 ALDH1A1 (0.43) HDAC3HDAC1ALDH1A1HPGD
SCHEMBL9255887 0.74 DAO (0.41) DAOPKMLIG1ALDH1A1HPGD
SCHEMBL277557 0.72 HPGD (0.46) HDAC3HDAC4HDAC1HDAC6KDM4E
SCHEMBL2846285 0.71 RIPK1 (0.42) DAOPKMLIG1HDAC3HDAC4
SCHEMBL13983930 0.70 CLK1 (0.49) DAOPKMLIG1HDAC3HDAC4
SCHEMBL1706932 0.70 HDAC6 (0.38) HDAC1HDAC6
SCHEMBL7893713 0.69 DAO (0.54) DAOPKMLIG1HDAC3HDAC4

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-6960594-B2 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer SHIRE BIOCHEM INC. (CA) 2005-11-01 US disclosed
EP-1091952-B1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER IAF BIOCHEM INT (CA) 2003-10-29 EP disclosed
US-20020137947-A1 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer BIOCHEM PHARMA INC. 2002-09-26 US disclosed
EP-1091952-A1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER BIOCHEM PHARMA INC (CA) 2001-04-18 EP disclosed
WO-2000000486-A1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER BIOCHEM PHARMA INC. (US) 2000-01-06 WO 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 (1 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-20020137947-A1 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer ITGB5, ITGB2, ITGA2 DAO 1048/4885PKM 4279/4885LIG1 1921/4885

“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.