SCHEMBL6504886

SCHEMBL6504886

CCN(Nc1ccccn1)C(=O)c1ccc(C(=O)NCC(NS(=O)(=O)c2c(C)cc(C)cc2C)C(=O)OC)s1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 14/20 0.47
ITGB1 P05556 14/20 0.47
ITGA5 P08648 14/20 0.47
ITGB3 P05106 12/20 0.47
ITGA2B P08514 9/20 0.47
ITGB5 P18084 6/20 0.47

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
SCHEMBL6495564 0.92 ITGAV (0.55) ITGAVITGB1ITGA5ITGB3ITGA2B
SCHEMBL6504876 0.85 ITGAV (0.54) ITGAVITGB1ITGA5ITGB3ITGA2B
SCHEMBL6504828 0.79 ITGAV (0.52) ITGAVITGB1ITGA5ITGB3ITGA2B
SCHEMBL6495549 0.77 ITGAV (0.63) ITGAVITGB1ITGA5ITGB3ITGA2B
Acetic Acid SCHEMBL6504819 0.76 ITGAV (0.61) ITGAVITGB1ITGA5ITGB3ITGA2B
SCHEMBL6494185 0.73 ITGB3 (0.41) ITGAVITGB1ITGA5ITGB3ITGA2B
SCHEMBL6495013 0.72 NPC1 (0.41)
SCHEMBL6500208 0.70 KDM4E (0.45)
SCHEMBL7455550 0.68 ITGAV (0.51) ITGAVITGB1ITGA5ITGB3ITGA2B
SCHEMBL7455544 0.68 ITGAV (0.51) ITGAVITGB1ITGA5ITGB3ITGA2B

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 ITGAV 7/4885ITGB1 14/4885ITGA5 8/4885

“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.