SCHEMBL2234433

SCHEMBL2234433

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 6/20 0.33
PPARG P37231 2/20 0.33
ACE P12821 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.32
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPBWR1 P48145 1/20 0.30
MCHR1 Q99705 1/20 0.30
SIRT5 Q9NXA8 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 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 0.94 NR1I3 (0.34) NR1I3PPARGACEKMT2ALMNA
SCHEMBL2233888 0.93 ACE (0.32) NR1I3PPARGACEKMT2ANOTUM
SCHEMBL2234511 0.92 ACE (0.33) NR1I3PPARGACEKMT2ASIRT5
SCHEMBL2235348 0.91 ACE (0.34) NR1I3PPARGACEKMT2ALMNA
SCHEMBL2236260 0.90 ACE (0.34) NR1I3PPARGACEKMT2ALMNA
SCHEMBL2233962 0.89 ACE (0.33) NR1I3PPARGACEKMT2ALMNA
SCHEMBL2235074 0.87 NR1I3 (0.34) NR1I3PPARGACEKMT2ALMNA
SCHEMBL2233747 0.86 ACE (0.34) NR1I3ACEKMT2ALMNA
SCHEMBL2238348 0.85 LMNA (0.39) NR1I3ACEKMT2ALMNAUSP2
SCHEMBL2236269 0.84 ACE (0.33) NR1I3PPARGACEKMT2ALMNA

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 NR1I3 1315/4885PPARG 4346/4885ACE 473/4885

“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.