SCHEMBL6902020

SCHEMBL6902020

CCOC(=O)CC[C@H](Nc1cc(C)c(CCc2cnc3nc(NC(=O)C(C)(C)C)[nH]c(=O)c3c2)s1)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
GART P22102 1/20 0.36
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TYMS P04818 4/20 0.32
DHFR P00374 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6897125 0.87 GART (0.47) SMN1; SMN2ALDH1A1HPGDGARTTYMS
SCHEMBL6893106 0.86 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HPGDNPC1HTT
SCHEMBL13927980 0.78 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1HPGDGARTL3MBTL1
SCHEMBL6897950 0.77 GART (0.36) SMN1; SMN2ALDH1A1HPGDGARTNPC1
SCHEMBL9836765 0.76 DHFR (0.53) SMN1; SMN2ALDH1A1HPGDGARTL3MBTL1
SCHEMBL13916068 0.76 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1HPGDGARTNPC1
SCHEMBL9837117 0.74 DHFR (0.50) ALDH1A1HPGDGARTL3MBTL1KDM4E
SCHEMBL9838414 0.74 DHFR (0.46) SMN1; SMN2ALDH1A1HPGDGARTL3MBTL1
SCHEMBL6901249 0.72 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1HPGDGARTTYMS
SCHEMBL9836770 0.69 DHFR (0.55) ALDH1A1HPGDGARTL3MBTL1KDM4E

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-20040081658-A1 Long peptides of 22-45 amino acid residues that induce and/or enhance antigen specific immune responses ACADEMISCH ZIEKENHUIS LEIDEN (NL) 2004-04-29 US claimed
EP-1355925-A2 LONG PEPTIDES OF 22-45 AMINO ACID RESIDUES THAT INDUCE AND/OR ENHANCE ANTIGEN SPECIFIC IMMUNE RESPONSES Academisch Ziekenhuis Leiden (NL) 2003-10-29 EP claimed
WO-2002070006-A2 LONG PEPTIDES OF 22-45 AMINO ACID RESIDUES THAT INDUCE AND/OR ENHANCE ANTIGEN SPECIFIC IMMUNE RESPONSES ACADEMISCH ZIEKENHUIS LEIDEN (NL) 2002-09-12 WO claimed
EP-1213299-A1 Immunogenic epitopes of human papilloma virus and uses thereof Leids Universitair Medisch Centrum (NL) 2002-06-12 EP claimed
EP-1482977-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2004-12-08 EP disclosed
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells AGOURON PHARMACEUTICALS INC. 2004-03-04 US disclosed
WO-2003074083-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2003-09-12 WO disclosed
EP-1213299-A1 Immunogenic epitopes of human papilloma virus and uses thereof Leids Universitair Medisch Centrum (NL) 2002-06-12 EP disclosed
EP-0773943-B1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMA (US) 2001-09-26 EP disclosed
US-5646141-A THIENYLALKYLATED DERIVATIVES OF PYRIDO(2,3-D)-PYRIMIDINE, PYRIMIDO(5,4-6)-(1,4)THIAZINE OR PYRIMIDO(5,4-6)-(1,4)SELENAZINE AGOURON PHARMACEUTICALS, INC. (US) 1997-07-08 US disclosed
US-5608082-A GARFT = THE ENZYME GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE AGOURON PHARMACEUTICALS, INC. (US) 1997-03-04 US 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-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells APRT, MTAP, TYMP SMN1; SMN2 1993/4885ALDH1A1 975/4885HPGD 2966/4885

“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.