SCHEMBL10076053

SCHEMBL10076053

CCC(=O)N(C)CC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HDAC6 Q9UBN7 2/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
ELANE P08246 1/20 0.31
ACACB O00763 1/20 0.31
CYP2D6 P10635 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
SCHEMBL1966612 0.82 ALDH1A1 (0.37) CA12CA1CA2CA9HDAC6
SCHEMBL18894207 0.82 CA12 (0.39) CA12CA1CA2CA9HDAC6
SCHEMBL6534709 0.82 HDAC6 (0.33) CA12CA1HDAC6CA7CA14
SCHEMBL1689401 0.79 HDAC6 (0.37) CA12CA1CA2CA9HDAC6
SCHEMBL2803666 0.79 GAA (0.35) CA12CA1CA2CA9HDAC6
SCHEMBL31529184 0.79 HDAC1 (0.43) HDAC6HDAC1HDAC2
SCHEMBL4496911 0.78 CA12 (0.43) CA12CA1CA2CA9ELANE
SCHEMBL23457672 0.78 TSHR (0.34) CA12CA1CA2CA9
SCHEMBL2803665 0.78 CA12 (0.33) CA12CA1CA2CA9HDAC6
SCHEMBL15759497 0.78 DGAT1 (0.34) CA12CA1CA2CA9HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 US disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 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-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 CA12 4148/4885CA1 4434/4885CA2 3159/4885

“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.