SCHEMBL1267299

SCHEMBL1267299

CC(=O)N(Cc1ccc(C)nc1N)/C(C)=C(/CCO)SS/C(CCO)=C(\C)N(Cc1ccc(C)nc1N)C(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TKT P29401 19/20 1.00

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
SCHEMBL1267303 1.00 TKT (1.00) TKT
SCHEMBL12898296 1.00 TKT (1.00) TKT
SCHEMBL12898327 1.00 TKT (1.00) TKT
SCHEMBL12898385 0.92 TKT (0.86) TKT
SCHEMBL12898376 0.86 TKT (0.76) TKT
SCHEMBL1267628 0.82 TKT (1.00) TKT
SCHEMBL12898325 0.82 TKT (1.00) TKT
SCHEMBL12898276 0.82 TKT (1.00) TKT
SCHEMBL12898384 0.80 TKT (0.76) TKT
SCHEMBL12898307 0.76 TKT (1.00) TKT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879885-B2 such as N-(2-Amino-6-methylpyridin-3-ylmethyl)-N-{2-[2-[(2-amino-6-methyl-pyridin-3-ylmethyl)formylamino]-1-(2-hydroxyethyl)-propenyldisulfanyl]-4-hydroxy-1-methylbut-1-enyl}formamide, used for inhibiting cell proliferation and tumor cell growth, stimulating apoptosis in tumor cells and treating cancer ARRAY BIOPHARMA, INC. (US) 2011-02-01 US disclosed
US-20070293501-A1 Thioalkeneamides as Transketolase Inhibitors ARRAY BIOPHARMA INC. (US) 2007-12-20 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-20070293501-A1 Thioalkeneamides as Transketolase Inhibitors TKT, AKR1A1, RRM2 TKT 1/4885

“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.