SCHEMBL2234511

SCHEMBL2234511

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.33
PPARG P37231 2/20 0.31
NR1I3 Q14994 5/20 0.31
SIRT5 Q9NXA8 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL2234065 0.93 NR1I3 (0.34) ACEPPARGNR1I3KMT2A
SCHEMBL2234433 0.92 NR1I3 (0.33) ACEPPARGNR1I3SIRT5KMT2A
SCHEMBL2235348 0.91 ACE (0.34) ACEPPARGNR1I3SIRT5KMT2A
SCHEMBL2236260 0.91 ACE (0.34) ACEPPARGNR1I3KMT2A
SCHEMBL2233962 0.90 ACE (0.33) ACEPPARGNR1I3KMT2A
SCHEMBL2235074 0.88 NR1I3 (0.34) ACEPPARGNR1I3SIRT5KMT2A
SCHEMBL2238186 0.87 ACE (0.33) ACEPPARGNR1I3SIRT5KMT2A
SCHEMBL2236269 0.87 ACE (0.33) ACEPPARGNR1I3SIRT5KMT2A
SCHEMBL2233747 0.86 ACE (0.34) ACENR1I3KMT2A
SCHEMBL2233888 0.86 ACE (0.32) ACEPPARGNR1I3SIRT5KMT2A

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 473/4885PPARG 4346/4885NR1I3 1315/4885

“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.