SCHEMBL2233888

SCHEMBL2233888

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.32
NR1I3 Q14994 5/20 0.32
KMT2A Q03164 1/20 0.32
NOTUM Q6P988 1/20 0.32
SIRT5 Q9NXA8 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
PPARG P37231 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPBWR1 P48145 1/20 0.30
MCHR1 Q99705 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
SCHEMBL2235074 0.94 NR1I3 (0.34) ACENR1I3KMT2ASIRT5LMNA
SCHEMBL2234433 0.93 NR1I3 (0.33) ACENR1I3KMT2ANOTUMSIRT5
SCHEMBL2236269 0.92 ACE (0.33) ACENR1I3KMT2ASIRT5LMNA
SCHEMBL2238186 0.92 ACE (0.33) ACENR1I3KMT2ASIRT5PPARG
SCHEMBL2233980 0.90 ACE (0.33) ACENR1I3KMT2ASIRT5
SCHEMBL2234065 0.87 NR1I3 (0.34) ACENR1I3KMT2ALMNAPPARG
SCHEMBL2236317 0.87 ACE (0.34) ACENR1I3
SCHEMBL2234511 0.86 ACE (0.33) ACENR1I3KMT2ASIRT5PPARG
SCHEMBL2235348 0.85 ACE (0.34) ACENR1I3KMT2ASIRT5LMNA
SCHEMBL2238348 0.85 LMNA (0.39) ACENR1I3KMT2ALMNA

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.