SCHEMBL7276391

SCHEMBL7276391

CC(C)(C)OC(=O)NCCO[C]=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 7/20 0.46
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA9 Q16790 7/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
IDO1 P14902 2/20 0.43
EPHX1 P07099 1/20 0.43
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL7528318 0.84 TDP1 (0.50) TDP1MEN1GAAKMT2ACA12
SCHEMBL13055393 0.80 TDP1 (0.58) TDP1MEN1GAAKMT2ACA12
SCHEMBL3341020 0.80 TDP1 (0.67) TDP1MEN1GAAKMT2ACA12
SCHEMBL23574971 0.79 TDP1 (0.56) TDP1MEN1GAAKMT2ACA12
SCHEMBL791556 0.79 TDP1 (0.56) TDP1MEN1GAAKMT2ACA12
SCHEMBL12085923 0.79 TDP1 (0.56) TDP1MEN1GAAKMT2ACA12
SCHEMBL12885084 0.79 TDP1 (0.56) TDP1MEN1GAAKMT2ACA12
SCHEMBL22276648 0.79 TDP1 (0.56) TDP1MEN1GAAKMT2ACA12
SCHEMBL22276641 0.79 TDP1 (0.56) TDP1MEN1GAAKMT2ACA12
SCHEMBL1526786 0.77 TDP1 (0.55) TDP1MEN1GAAKMT2ACA12

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
US-20120316169-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2012-12-13 US claimed
EP-0312157-A2 Tetrapeptide renin inhibitors having a novel c-terminal amino acid MERCK & CO. INC. (US) 1989-04-19 EP claimed
EP-0312158-A2 Tetrapeptide renin inhibitors having novel c-terminal amino acid amide MERCK & CO. INC. (US) 1989-04-19 EP claimed
US-20120316169-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2012-12-13 US disclosed
EP-0312158-A2 Tetrapeptide renin inhibitors having novel c-terminal amino acid amide MERCK & CO. INC. (US) 1989-04-19 EP 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-20120316169-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BDKRB2, BDKRB1, CNR2 TDP1 4183/4885MEN1 3488/4885GAA 4264/4885

“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.