SCHEMBL6502310

SCHEMBL6502310

CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(C(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
P2RY14 Q15391 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ESR1 P03372 1/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
IDO1 P14902 1/20 0.43
STK17B O94768 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
SCHEMBL28477418 0.85 GAA (0.67) GAAMEN1KMT2AP2RY14TDP1
SCHEMBL22268382 0.85 NPSR1 (0.47) GAAMEN1KMT2ATDP1NPSR1
SCHEMBL22996066 0.84 HPGD (0.48) GAAMEN1KMT2AP2RY14TDP1
SCHEMBL31687547 0.84 ACKR3 (0.62) P2RY14KDM4ENPC1RAB9AHDAC1
SCHEMBL22268385 0.83 CA1 (0.43) GAAMEN1KMT2ATDP1NPSR1
SCHEMBL6494913 0.79 KMT2A (0.36) GAAKMT2AP2RY14TDP1NPSR1
SCHEMBL6492615 0.79 L3MBTL1 (0.42) GAAMEN1KMT2AP2RY14TDP1
SCHEMBL6493656 0.79 LMNA (0.42) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL14158944 0.78 ALDH1A1 (0.57) GAAMEN1KMT2ATDP1NPC1
SCHEMBL1467340 0.77 NAAA (0.56) GAAMEN1KMT2ATDP1NPSR1

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 GAA 2976/4885MEN1 3603/4885KMT2A 2054/4885

“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.