SCHEMBL2233402

SCHEMBL2233402

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.40
NR1I3 Q14994 8/20 0.40
TDP1 Q9NUW8 3/20 0.39
DRD2 P14416 6/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SIRT5 Q9NXA8 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PAX8 Q06710 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
SCHEMBL2234465 0.93 ACE (0.42) ACENR1I3TDP1DRD2MEN1
SCHEMBL2382108 0.91 ACE (0.41) ACENR1I3TDP1DRD2MEN1
SCHEMBL2234466 0.90 MEN1 (0.47) ACENR1I3TDP1DRD2MEN1
SCHEMBL2236787 0.90 MEN1 (0.47) ACENR1I3TDP1DRD2MEN1
SCHEMBL2238532 0.90 MEN1 (0.47) ACENR1I3TDP1DRD2MEN1
SCHEMBL2235328 0.87 ACE (0.39) ACENR1I3TDP1DRD2MEN1
SCHEMBL2382061 0.87 ACE (0.38) ACENR1I3TDP1DRD2SIRT5
SCHEMBL2233958 0.85 MEN1 (0.45) ACENR1I3TDP1DRD2MEN1
SCHEMBL12255876 0.84 NOTUM (0.36) ACENR1I3KMT2A
Hydrochloric Acid SCHEMBL2237223 0.84 NOTUM (0.35) NR1I3

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 473/4885NR1I3 1315/4885TDP1 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.