SCHEMBL6494885

SCHEMBL6494885

NCCNC(=O)c1ccc(C(=O)C[C@](N)(NS(=O)(=O)c2ccccc2)C(=O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
ITGB3 P05106 7/20 0.36
ITGAV P06756 7/20 0.36
ITGA2B P08514 5/20 0.36
ITGB5 P18084 4/20 0.36
ITGB1 P05556 3/20 0.36
ITGA5 P08648 3/20 0.36
AKT3 Q9Y243 1/20 0.35
USP2 O75604 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CHEK1 O14757 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL6493793 0.96 HDAC1 (0.43) HDAC3HDAC4HDAC1HDAC6ITGB3
SCHEMBL6494871 0.73 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB5ITGB1
Trifluoroacetic Acid SCHEMBL6493786 0.73 ITGB3 (0.65) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6503108 0.69 NPC1 (0.44) HDAC3HDAC4HDAC1HDAC6USP2
SCHEMBL14676221 0.69 ATM (0.44) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6494273 0.67 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL27450342 0.65 TMPRSS6 (0.48) ITGB3ITGA2BUSP2
SCHEMBL26983176 0.65 CA12 (0.63) SMN1; SMN2ALDH1A1
SCHEMBL27451240 0.65 USP2 (0.44) HDAC1HDAC6ITGB3ITGA2BUSP2
SCHEMBL21780200 0.64 KDM4E (0.46) NPC1SMN1; SMN2ALDH1A1

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 HDAC3 221/4885HDAC4 311/4885HDAC1 100/4885

“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.