SCHEMBL6502329

SCHEMBL6502329

COC(=O)C(CNC(=O)c1ccc(C(=O)NCCN(C(=O)OC(C)(C)C)C(N)=NC(=O)OC(C)(C)C)s1)Nc1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 5/20 0.35
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA2B P08514 1/20 0.30

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
SCHEMBL6502327 0.84 AKT3 (0.35) AKT3
SCHEMBL6502332 0.82 AKT3 (0.33) AKT3SIRT2SIRT1SIRT3ITGB3
SCHEMBL6503426 0.81 MAPK1 (0.37) AKT3SIRT2SIRT1SIRT3
SCHEMBL7356003 0.81 AKT3 (0.35) AKT3SIRT2SIRT1SIRT3
SCHEMBL6492566 0.80 MAPK1 (0.37) AKT3SIRT2SIRT1SIRT3
SCHEMBL7452371 0.71 HPGD (0.52)
SCHEMBL7456459 0.70 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL7456483 0.69 ACKR3 (0.43) AKT3ITGB3ITGAVITGA2B
SCHEMBL7453315 0.69 HPGDS (0.37) AKT3ITGB3ITGAVITGA2B
SCHEMBL6503512 0.68 SYK (0.41)

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 AKT3 2302/4885SIRT2 242/4885SIRT1 437/4885

“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.