SCHEMBL13741796

SCHEMBL13741796

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TKT P29401 20/20 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
SCHEMBL12898292 0.84 TKT (1.00) TKT
SCHEMBL13741845 0.83 TKT (0.71) TKT
Hydrochloric Acid SCHEMBL1267295 0.82 TKT (0.98) TKT
Hydrochloric Acid SCHEMBL4355811 0.82 TKT (0.70) TKT
SCHEMBL13741198 0.81 TKT (1.00) TKT
SCHEMBL13741723 0.74 TKT (0.81) TKT
SCHEMBL13741544 0.73 TKT (1.00) TKT
SCHEMBL13741423 0.72 TKT (1.00) TKT
SCHEMBL4881061 0.72 TKT (1.00) TKT
Hydrochloric Acid SCHEMBL1267202 0.71 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209554-A1 Thiazoliums as transketolase inhibitors ARRAY BIOPHARMA INC. (US) 2009-08-20 — — 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-20090209554-A1 Thiazoliums as transketolase inhibitors TKT, RRM2, TYMS 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.

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