SCHEMBL6494656

SCHEMBL6494656

CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(C(=O)NCC(NS(=O)(=O)c2ccccc2)C(=O)OC(C)(C)C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.44
ITGA2B P08514 10/20 0.44
ITGAV P06756 8/20 0.44
ITGB5 P18084 4/20 0.44
ITGB1 P05556 3/20 0.44
ITGA5 P08648 3/20 0.44
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PAX8 Q06710 1/20 0.40
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6492757 0.88 ITGB3 (0.48) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL6493323 0.88 ITGB3 (0.48) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL8902514 0.85 ITGAV (0.52) ITGB3ITGA2BITGAVUSP2
SCHEMBL7450546 0.85 ITGB3 (0.47) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL7451824 0.85 ITGB3 (0.47) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL7451827 0.85 ITGB3 (0.47) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL6494179 0.84 ITGB3 (0.42) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL7450342 0.83 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL7450849 0.83 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL6502445 0.82 ITGB3 (0.47) ITGB3ITGA2BITGAVITGB5ITGB1

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 3 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

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 ITGB3 12/4885ITGA2B 10/4885ITGAV 7/4885

“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.