SCHEMBL2236787

SCHEMBL2236787

CC(C)(C)OC(=O)NCCC[C@@H](Cc1ncn2c1CCc1ccccc1-2)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
ACE P12821 1/20 0.46
DRD2 P14416 6/20 0.40
SIRT5 Q9NXA8 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
NR1I3 Q14994 4/20 0.39
PAX8 Q06710 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL2238532 1.00 MEN1 (0.47) MEN1GAAKMT2AACEDRD2
SCHEMBL2234466 1.00 MEN1 (0.47) MEN1GAAKMT2AACEDRD2
SCHEMBL2233958 0.95 MEN1 (0.45) MEN1GAAKMT2AACEDRD2
SCHEMBL2234465 0.92 ACE (0.42) MEN1GAAKMT2AACEDRD2
SCHEMBL2382108 0.91 ACE (0.41) MEN1GAAKMT2AACEDRD2
SCHEMBL2356132 0.90 MEN1 (0.42) MEN1GAAKMT2AACEDRD2
SCHEMBL2233402 0.90 ACE (0.40) MEN1GAAKMT2AACEDRD2
SCHEMBL2238348 0.90 LMNA (0.39) MEN1GAAKMT2AACENR1I3
SCHEMBL2235169 0.89 MEN1 (0.44) MEN1GAAKMT2AACETDP1
SCHEMBL2237252 0.89 MEN1 (0.44) MEN1GAAKMT2AACETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 MEN1 4119/4885GAA 1535/4885KMT2A 3664/4885

“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.