SCHEMBL6503426

SCHEMBL6503426

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.32
HTR2C P28335 1/20 0.32
NAMPT P43490 1/20 0.32
ACKR3 P25106 1/20 0.32
HDAC1 Q13547 4/20 0.31
HDAC4 P56524 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31

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
SCHEMBL6492566 0.93 MAPK1 (0.37) MAPK1SIRT2SIRT1SIRT3NPSR1
SCHEMBL6502329 0.81 AKT3 (0.35) SIRT2SIRT1SIRT3AKT3
SCHEMBL6503414 0.80 MAPK1 (0.38) MAPK1SIRT2SIRT1SIRT3NPSR1
SCHEMBL7508488 0.77 NPSR1 (0.35) MAPK1NPSR1HPGDTSHRATM
SCHEMBL6503418 0.77 NPSR1 (0.40) MAPK1SIRT2SIRT1SIRT3NPSR1
SCHEMBL22268382 0.73 NPSR1 (0.47) MAPK1SIRT2SIRT1SIRT3NPSR1
SCHEMBL6494906 0.72 MAPK1 (0.39) MAPK1NPSR1L3MBTL1HTR2CACKR3
SCHEMBL28767269 0.72 NPSR1 (0.46) MAPK1SIRT2SIRT1SIRT3NPSR1
SCHEMBL6494913 0.70 KMT2A (0.36) MAPK1SIRT2SIRT1SIRT3NPSR1
SCHEMBL5298045 0.70 CA14 (0.31) HDAC1HDAC6

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250743-A1 Ammonium salts of inositol hexaphosphate, and uses thereof LEHN JEAN-MARIE 2005-11-10 US claimed
US-6610702-B2 Supplying oxygen to tissues, organs GMP OXYCELL, INC. 2003-08-26 US claimed
US-20020173494-A1 Ammonium salts of inositol hexaphosphate, and uses thereof GMP OXYCELL, INC. 2002-11-21 US claimed
US-20050250743-A1 Ammonium salts of inositol hexaphosphate, and uses thereof LEHN JEAN-MARIE 2005-11-10 US disclosed
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-6610702-B2 Supplying oxygen to tissues, organs GMP OXYCELL, INC. 2003-08-26 US disclosed
US-20020173494-A1 Ammonium salts of inositol hexaphosphate, and uses thereof GMP OXYCELL, INC. 2002-11-21 US 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 (3 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-20050250743-A1 Ammonium salts of inositol hexaphosphate, and uses thereof ITPA, PPIP5K2, INPP5B MAPK1 4330/4885SIRT2 2095/4885SIRT1 2341/4885
US-20020137947-A1 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer ITGB5, ITGB2, ITGA2 MAPK1 4153/4885SIRT2 242/4885SIRT1 437/4885
US-20020173494-A1 Ammonium salts of inositol hexaphosphate, and uses thereof ITPA, PPIP5K2, INPP5B MAPK1 4330/4885SIRT2 2095/4885SIRT1 2341/4885

“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.