SCHEMBL6494906

SCHEMBL6494906

CC(C)(C)OC(=O)NC(=N)N(CCNC(=O)c1ccc(C(=O)O)s1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.36
IDO1 P14902 1/20 0.34
HDAC4 P56524 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC3 O15379 2/20 0.34
AKT1 P31749 1/20 0.34
HTR2C P28335 1/20 0.34
P2RY14 Q15391 1/20 0.33
ACKR3 P25106 5/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 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
SCHEMBL6503414 0.93 MAPK1 (0.38) MAPK1KMT2AIDO1HDAC4HDAC1
SCHEMBL6492566 0.79 MAPK1 (0.37) MAPK1KMT2AHDAC4HDAC1HDAC6
SCHEMBL6502327 0.79 AKT3 (0.35) MAPK1CKS1BSKP1SKP2
SCHEMBL6502310 0.77 GAA (0.48) KMT2AIDO1HDAC4HDAC1HDAC6
SCHEMBL6494913 0.75 KMT2A (0.36) MAPK1KMT2AIDO1HDAC4HDAC1
SCHEMBL28643174 0.74 CA14 (0.33) KMT2AALDH1A1GAA
SCHEMBL9426075 0.74 CA1 (0.35) KMT2AIDO1HDAC1HDAC6AKT1
SCHEMBL21664460 0.74 CA14 (0.35)
SCHEMBL28323963 0.73 TDP1 (0.51) KMT2AIDO1GAA
SCHEMBL6503426 0.72 MAPK1 (0.37) MAPK1KMT2AHDAC4HDAC1HDAC6

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 4153/4885KMT2A 2054/4885IDO1 2654/4885

“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.