SCHEMBL6502810

SCHEMBL6502810

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSA P10619 3/20 0.45
ITGB3 P05106 2/20 0.44
ITGAV P06756 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
PRNP P04156 1/20 0.42

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 SCHEMBL6504643 0.93 MMP12 (0.46) MMP12MMP3MMP9MMP8MMP13
SCHEMBL6495148 0.88 MMP12 (0.46) MMP12MMP3MMP9MMP8MMP13
SCHEMBL6506291 0.83 HDAC3 (0.43) MMP12NPC1USP2RAB9ASMN1; SMN2
SCHEMBL13059979 0.79 NPC1 (0.44) NPC1USP2RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6492615 0.75 L3MBTL1 (0.42) NPC1USP2RAB9ASMN1; SMN2L3MBTL1
SCHEMBL12124269 0.73 NPC1 (0.65) NPC1USP2RAB9ASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL31687521 0.73 ACKR3 (0.67) NPC1RAB9AHDAC1
SCHEMBL6503102 0.71 NPC1 (0.38) NPC1USP2RAB9ASMN1; SMN2L3MBTL1
SCHEMBL22995641 0.71 MEN1 (0.61) MMP12MMP3MMP9MMP8MMP13
SCHEMBL3717471 0.71 MEN1 (0.61) MMP12MMP3MMP9MMP8MMP13

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 MMP12 528/4885MMP3 2005/4885MMP9 1309/4885

“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.