SCHEMBL16129356

SCHEMBL16129356

CC(C)(C)OC(=O)c1cccc(CNC(=O)Cc2nc3c(s2)CN(Cc2ccccc2)CC3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
GAA P10253 6/20 0.52
KDM4E B2RXH2 5/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
MAPK1 P28482 1/20 0.52
MAPT P10636 5/20 0.46
MEN1 O00255 2/20 0.46
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43

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
SCHEMBL16129357 0.89 LIPG (0.54) ALDH1A1GAAKDM4ERAB9ASMN1; SMN2
SCHEMBL12210597 0.85 LIPG (0.43) ALDH1A1RAB9AKMT2ANPC1MAPK1
SCHEMBL16129355 0.75 ALDH1A1 (0.61) ALDH1A1GAAKDM4ERAB9ASMN1; SMN2
SCHEMBL12211328 0.75 LIPG (0.54) LIPG
SCHEMBL12210584 0.75 LIPG (0.77) LIPGROCK2
SCHEMBL12210604 0.74 LIPG (0.50) MAPK1LIPGROCK2HDAC3HDAC6
SCHEMBL12235419 0.74 LIPG (0.55) LIPG
SCHEMBL12210589 0.73 LIPG (0.59) KDM4ERAB9ASMN1; SMN2NPC1MAPT
SCHEMBL12211327 0.73 LIPG (0.47) NPC1MAPTLIPGHDAC1
SCHEMBL12210602 0.73 LIPG (0.57) ALDH1A1GAARAB9ASMN1; SMN2KMT2A

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-8957219-B2 Acetic acid amide derivative having inhibitory activity on endothelial lipase SHIONOGI & CO., LTD. (JP) 2015-02-17 US disclosed
EP-2351744-B1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON VASCULAR ENDOTHELIAL LIPASE SHIONOGI & CO (JP) 2015-01-07 EP disclosed
US-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2014-09-25 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-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE LIPG, CEL, FFAR3 ALDH1A1 905/4885GAA 1078/4885KDM4E 2020/4885

“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.