SCHEMBL1263607

SCHEMBL1263607

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
DGAT1 O75907 1/20 0.35
CYP2D6 P10635 1/20 0.35
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA1 P00915 2/20 0.33
CA7 P43166 2/20 0.33
CA2 P00918 2/20 0.33
EPHX2 P34913 1/20 0.32
CTSK P43235 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HDAC3 O15379 1/20 0.31

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
SCHEMBL182237 0.96 TDP1 (0.41) TDP1DGAT1CYP2D6CA12CA14
SCHEMBL27921361 0.93 TDP1 (0.39) TDP1DGAT1CYP2D6CA12CA14
SCHEMBL2648388 0.89 DGAT1 (0.42) TDP1DGAT1CYP2D6CA12CA14
SCHEMBL28129232 0.83 MGAM (0.54) TDP1DGAT1CYP2D6CA12CA14
SCHEMBL5443383 0.81 FAAH (0.38) TDP1DGAT1CYP2D6CA12CA14
SCHEMBL5691332 0.81 DGAT1 (0.34) TDP1DGAT1CYP2D6CA12CA14
SCHEMBL12735830 0.81 TDP1 (0.36) TDP1DGAT1CYP2D6CA12CA14
SCHEMBL25275143 0.80 DGAT1 (0.37) TDP1DGAT1CYP2D6CA12CA14
SCHEMBL5691337 0.80 GAA (0.42) TDP1DGAT1CYP2D6CA12CA14
SCHEMBL28110392 0.80 GAA (0.45) CTSKCYP1A2CYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066662-B1 SERINE HYDROLASE INHIBITORS KYORIN SEIYAKU KK (JP) 2012-12-05 EP disclosed
EP-2066662-B1 SERINE HYDROLASE INHIBITORS KYORIN SEIYAKU KK (JP) 2012-12-05 EP disclosed
US-7879846-B2 e.g. 2-(2-Imidazol-1-yl-pyridin-3-yl)-5-methyl-4H-benz[d][1,3]oxazin-4-one ; neutrophil elastase inhibitor; antiinflammatory agent, respiratory system disorders Kyorin Pharmaceutical Co.., Ltd. (JP) 2011-02-01 US disclosed
US-7879846-B2 e.g. 2-(2-Imidazol-1-yl-pyridin-3-yl)-5-methyl-4H-benz[d][1,3]oxazin-4-one ; neutrophil elastase inhibitor; antiinflammatory agent, respiratory system disorders Kyorin Pharmaceutical Co.., Ltd. (JP) 2011-02-01 US disclosed
US-7879846-B2 e.g. 2-(2-Imidazol-1-yl-pyridin-3-yl)-5-methyl-4H-benz[d][1,3]oxazin-4-one ; neutrophil elastase inhibitor; antiinflammatory agent, respiratory system disorders Kyorin Pharmaceutical Co.., Ltd. (JP) 2011-02-01 US disclosed
US-20080161290-A1 Serine hydrolase inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-20080161290-A1 Serine hydrolase inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-20080161290-A1 Serine hydrolase inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
WO-2008036379-A2 SERINE HYDROLASE INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2008-03-27 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-20080161290-A1 Serine hydrolase inhibitors SERPINB1, ELANE, EPX TDP1 676/4885DGAT1 3321/4885CYP2D6 2279/4885

“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.