SCHEMBL2234465

SCHEMBL2234465

COC(=O)C(CCCNC(=O)OC(C)(C)C)Cc1ncn2c1CCc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.42
DRD2 P14416 6/20 0.41
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1I3 Q14994 5/20 0.38
SIRT5 Q9NXA8 1/20 0.37
PAX8 Q06710 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL2382108 0.93 ACE (0.41) ACEDRD2TDP1MEN1GAA
SCHEMBL2233402 0.93 ACE (0.40) ACEDRD2TDP1MEN1GAA
SCHEMBL2236787 0.92 MEN1 (0.47) ACEDRD2TDP1MEN1GAA
SCHEMBL2238532 0.92 MEN1 (0.47) ACEDRD2TDP1MEN1GAA
SCHEMBL2234466 0.92 MEN1 (0.47) ACEDRD2TDP1MEN1GAA
SCHEMBL2235328 0.90 ACE (0.39) ACEDRD2TDP1MEN1GAA
SCHEMBL2233958 0.87 MEN1 (0.45) ACEDRD2TDP1MEN1GAA
SCHEMBL2233645 0.86 ACE (0.38) ACEDRD2TDP1MEN1GAA
SCHEMBL2232600 0.85 SIRT5 (0.36) NR1I3SIRT5CTSLCTSBCTSK
SCHEMBL12255869 0.85 GRIN1 (0.37) ACEKMT2A

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 ACE 473/4885DRD2 3857/4885TDP1 1125/4885

“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.