SCHEMBL6502448

SCHEMBL6502448

CC(C)(C)OC(=O)CC(NC(=O)c1ccc(C(=O)N(N)C(=O)OC(C)(C)C)s1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.35
ITGB3 P05106 7/20 0.35
ITGAV P06756 7/20 0.35
ITGA2B P08514 5/20 0.35
ITGB5 P18084 4/20 0.35
ITGB1 P05556 3/20 0.35
ITGA5 P08648 3/20 0.35
CASP3 P42574 1/20 0.34
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC3 O15379 3/20 0.32
HDAC4 P56524 3/20 0.32
HDAC1 Q13547 3/20 0.32
F2 P00734 1/20 0.32
MMP13 P45452 1/20 0.32
HDAC6 Q9UBN7 3/20 0.32
BCL2 P10415 1/20 0.32
TMPRSS11D O60235 1/20 0.32

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
SCHEMBL6502445 0.81 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7377408 0.76 ABCB1 (0.41) ABCB1ITGB3ITGA2BCA2CA9
Trifluoroacetic Acid SCHEMBL7998510 0.72 ABCB1 (0.42) ABCB1CA2CA9F2MMP13
SCHEMBL7414276 0.72 ABCB1 (0.43) ABCB1CA2CA9MMP13BCL2
SCHEMBL6504669 0.71 SLC1A2 (0.47) ABCB1CA2CA9CYP2C19
SCHEMBL6501523 0.70 DAO (0.40) HDAC3HDAC4HDAC1HDAC6
SCHEMBL383059 0.69 ITGB3 (0.43) ITGB3ITGAVITGA2BBCL2
SCHEMBL7362268 0.68 HPGD (0.44) HDAC3HDAC4HDAC1HDAC6
SCHEMBL7379287 0.67 CASP1 (0.48) ABCB1CA2CA9MMP13BCL2
SCHEMBL6493323 0.66 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB5ITGB1

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 ABCB1 1152/4885ITGB3 12/4885ITGAV 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.