SCHEMBL2235348

SCHEMBL2235348

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.34
NR1I3 Q14994 9/20 0.32
KMT2A Q03164 2/20 0.31
PPARG P37231 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
SIRT5 Q9NXA8 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 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
SCHEMBL2236260 0.93 ACE (0.34) ACENR1I3KMT2APPARGMEN1
SCHEMBL2238186 0.92 ACE (0.33) ACENR1I3KMT2APPARGMEN1
SCHEMBL2234065 0.92 NR1I3 (0.34) ACENR1I3KMT2APPARGMTNR1A
SCHEMBL2233962 0.92 ACE (0.33) ACENR1I3KMT2APPARGMEN1
SCHEMBL2234511 0.91 ACE (0.33) ACENR1I3KMT2APPARGSIRT5
SCHEMBL2234433 0.91 NR1I3 (0.33) ACENR1I3KMT2APPARGSIRT5
SCHEMBL2233747 0.89 ACE (0.34) ACENR1I3KMT2AMEN1LMNA
SCHEMBL2236269 0.87 ACE (0.33) ACENR1I3KMT2APPARGMEN1
SCHEMBL2236787 0.86 MEN1 (0.47) ACENR1I3KMT2AMEN1GAA
SCHEMBL2234466 0.86 MEN1 (0.47) ACENR1I3KMT2AMEN1GAA

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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
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 1315/4885KMT2A 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.