SCHEMBL6503414

SCHEMBL6503414

COC(=O)c1ccc(C(=O)NCCN(C(=N)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 3/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2C P28335 1/20 0.33
KCNA5 P22460 1/20 0.33
ACKR3 P25106 1/20 0.32
HDAC4 P56524 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC3 O15379 2/20 0.32
LMNA P02545 2/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 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
SCHEMBL6494906 0.93 MAPK1 (0.39) MAPK1NPSR1L3MBTL1KMT2AHTR2C
SCHEMBL6502327 0.80 AKT3 (0.35) MAPK1AKT3
SCHEMBL6503426 0.80 MAPK1 (0.37) MAPK1NPSR1HPGDTSHRATM
SCHEMBL22268382 0.79 NPSR1 (0.47) MAPK1NPSR1HPGDTSHRATM
SCHEMBL6503418 0.76 NPSR1 (0.40) MAPK1NPSR1HPGDTSHRATM
SCHEMBL28767269 0.76 NPSR1 (0.46) MAPK1NPSR1HPGDTSHRATM
SCHEMBL28643174 0.73 CA14 (0.33) KMT2AGAA
SCHEMBL21664460 0.73 CA14 (0.35)
SCHEMBL6492566 0.72 MAPK1 (0.37) MAPK1NPSR1L3MBTL1SIRT2SIRT1
SCHEMBL28323963 0.72 TDP1 (0.51) KMT2AIDO1GAA

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 MAPK1 4153/4885NPSR1 4057/4885HPGD 657/4885

“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.