SCHEMBL4881061

SCHEMBL4881061

Cc1ccc(C[n+]2csc(CCO)c2C)c(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TKT P29401 17/20 1.00
HSP90AA1 P07900 1/20 0.68

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
Hydrochloric Acid SCHEMBL1267202 0.99 TKT (1.00) TKTHSP90AA1
Hydrochloric Acid SCHEMBL1267294 0.97 TKT (0.98) TKTHSP90AA1
SCHEMBL13741554 0.93 TKT (1.00) TKT
SCHEMBL13741171 0.88 TKT (1.00) TKTHSP90AA1
SCHEMBL13741545 0.88 TKT (1.00) TKT
SCHEMBL13741722 0.86 TKT (1.00) TKT
SCHEMBL13741789 0.86 TKT (1.00) TKTHSP90AA1
SCHEMBL13741163 0.84 TKT (1.00) TKTHSP90AA1
SCHEMBL13741708 0.84 TKT (1.00) TKTHSP90AA1
SCHEMBL13741381 0.84 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 10 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-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-20090209554-A1 Thiazoliums as transketolase inhibitors ARRAY BIOPHARMA INC. (US) 2009-08-20 US disclosed
US-20080234304-A1 N3-Pyridyl-Thiamine And Its Use In Cancer Treatments AVEO PHARMACEUTICALS, INC. (US) 2008-09-25 US disclosed
US-20080234304-A1 N3-Pyridyl-Thiamine And Its Use In Cancer Treatments AVEO PHARMACEUTICALS, INC. (US) 2008-09-25 US disclosed
US-20070293501-A1 Thioalkeneamides as Transketolase Inhibitors ARRAY BIOPHARMA INC. (US) 2007-12-20 US disclosed
US-20070292888-A1 Methods for Measuring Enzyme Activities in Cells, Blood, Tumors and Tissues GEN-PATH PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070293501-A1 Thioalkeneamides as Transketolase Inhibitors ARRAY BIOPHARMA INC. (US) 2007-12-20 US disclosed
WO-2005094803-A2 N3-PYRIDYL-THIAMINE AND ITS USE IN CANCER TREATMENTS AVEO PHARMACEUTICALS, INC. (US) 2005-10-13 WO disclosed
WO-2005095636-A2 METHODS FOR MEASURING ENZYME ACTIVITIES IN CELLS, BLOOD, TUMORS AND TISSUES AVEO PHARMACEUTICALS, INC. (US) 2005-10-13 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-20090209554-A1 Thiazoliums as transketolase inhibitors TKT, RRM2, TYMS TKT 1/4885HSP90AA1 3622/4885
US-20080234304-A1 N3-Pyridyl-Thiamine And Its Use In Cancer Treatments SLC19A2, TYMS, NAMPT TKT 12/4885HSP90AA1 3403/4885
US-20070293501-A1 Thioalkeneamides as Transketolase Inhibitors TKT, AKR1A1, RRM2 TKT 1/4885HSP90AA1 3504/4885

“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.