SCHEMBL16296165

SCHEMBL16296165

CC(C)(C)OC(=O)NC(C)(C)C(=O)[O-].[Cs+]

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
DGAT1 O75907 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 3/20 0.33
CA14 Q9ULX7 3/20 0.33
APLNR P35414 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CTSK P43235 2/20 0.32

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
Potassium Ion SCHEMBL7713759 0.96 TDP1 (0.36) TDP1DGAT1CA1CA2CA7
Silver SCHEMBL21834857 0.96 TDP1 (0.36) TDP1DGAT1CA1CA2CA7
SCHEMBL1374814 0.80 DGAT1 (0.52) TDP1DGAT1CA1CA2CA7
SCHEMBL14276786 0.79 TDP1 (0.39) TDP1DGAT1CA1CA2CA7
SCHEMBL2541061 0.78 DGAT1 (0.45) TDP1DGAT1CA1CA2CA7
SCHEMBL2543922 0.78 DGAT1 (0.45) TDP1DGAT1CA1CA2CA7
SCHEMBL76832 0.77 KDM4C (0.41) TDP1DGAT1CA1CA2CA7
SCHEMBL19154278 0.76 TDP1 (0.37) TDP1DGAT1CA1CA2CA7
SCHEMBL21952155 0.76 TDP1 (0.37) TDP1DGAT1CA1CA2CA7
SCHEMBL9304597 0.76 APLNR (0.38) TDP1DGAT1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008062-B1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma AG (DE) 2017-04-05 EP disclosed
US-9586958-B2 Prodrug derivatives of substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-07 US disclosed
US-20160207915-A1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-21 US disclosed
EP-3008062-A2 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma Aktiengesellschaft (DE) 2016-04-20 EP disclosed
WO-2014198647-A2 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 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 (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-20160207915-A1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES TK1, PNKP, MPST TDP1 42/4885DGAT1 4181/4885CA1 4220/4885

“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.