SCHEMBL2235504

SCHEMBL2235504

CC(C)(C)OC(=O)NCCCC(Cc1ncn2c1CCc1cc(CCC3CCCCC3)ccc1-2)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
ACE P12821 1/20 0.35
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
CPB2 Q96IY4 3/20 0.32

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
SCHEMBL2234528 1.00 PPARG (0.39) PPARGMEN1KMT2AGAAACE
SCHEMBL2237182 0.90 MEN1 (0.41) PPARGMEN1KMT2AGAAACE
SCHEMBL2238062 0.90 MEN1 (0.41) PPARGMEN1KMT2AGAAACE
SCHEMBL2235898 0.88 MEN1 (0.40) PPARGMEN1KMT2AGAAACE
SCHEMBL2235510 0.86 MEN1 (0.39) MEN1KMT2AGAAACECYP11B1
SCHEMBL2234527 0.86 MEN1 (0.38) PPARGMEN1KMT2AGAAACE
SCHEMBL10293895 0.86 CPB2 (0.44) PPARGCPB2
Hydrochloric Acid SCHEMBL2236186 0.85 CPB2 (0.44) PPARGCPB2
SCHEMBL2237252 0.85 MEN1 (0.44) MEN1KMT2AGAAACECYP11B1
SCHEMBL2235169 0.85 MEN1 (0.44) MEN1KMT2AGAAACECYP11B1

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 PPARG 4346/4885MEN1 4119/4885KMT2A 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.