SCHEMBL6897950

SCHEMBL6897950

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 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GART P22102 5/20 0.36
FOLR1 P15328 2/20 0.35
DHFR P00374 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL13916066 0.89 GART (0.45) GARTFOLR1DHFRALDH1A1HPGD
SCHEMBL6900553 0.88 GART (0.47) GARTFOLR1DHFR
SCHEMBL6902020 0.77 SMN1; SMN2 (0.39) GARTDHFRSMN1; SMN2NPC1HTT
SCHEMBL9836685 0.75 GART (0.42) GARTDHFRALDH1A1HPGD
SCHEMBL6899022 0.75 GART (0.61) GARTFOLR1
SCHEMBL6900347 0.75 GART (0.61) GARTFOLR1
SCHEMBL6899009 0.75 GART (0.61) GARTFOLR1
SCHEMBL9837146 0.75 GART (0.41) GARTDHFRALDH1A1HPGD
SCHEMBL7834566 0.74 GART (0.55) GARTFOLR1
SCHEMBL10512971 0.74 GART (0.58) GARTDHFRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 GART 4/4885FOLR1 343/4885DHFR 150/4885

“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.