SCHEMBL6503102

SCHEMBL6503102

NCCCNC(=O)c1ccc(C(=O)NC(N)CC(=O)OS(=O)(=O)c2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACKR3 P25106 5/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ESR1 P03372 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
SLC8A1 P32418 1/20 0.34
ITGB3 P05106 1/20 0.33

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
SCHEMBL6503108 0.73 NPC1 (0.44) NPC1USP2RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6494273 0.72 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL6502810 0.71 MMP12 (0.47) NPC1USP2RAB9ASMN1; SMN2L3MBTL1
SCHEMBL27403623 0.69 ABCB1 (0.45) RAB9ASMN1; SMN2NPSR1MEN1ALDH1A1
SCHEMBL6506291 0.68 HDAC3 (0.43) NPC1USP2RAB9ASMN1; SMN2L3MBTL1
SCHEMBL27791566 0.68 SLC1A3 (0.37) SMN1; SMN2NPSR1KDM4EALDH1A1KMT2A
SCHEMBL15418568 0.68 CYP1A2 (0.38) NPSR1KDM4EHDAC3HDAC4HDAC1
SCHEMBL27770238 0.68 SLC1A3 (0.37) SMN1; SMN2NPSR1KDM4EALDH1A1KMT2A
SCHEMBL27791598 0.68 SLC1A3 (0.37) SMN1; SMN2NPSR1KDM4EALDH1A1KMT2A
SCHEMBL13059979 0.68 NPC1 (0.44) NPC1USP2RAB9ASMN1; SMN2L3MBTL1

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 NPC1 4753/4885USP2 3155/4885RAB9A 1966/4885

“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.