SCHEMBL2233936

SCHEMBL2233936

CC(C[C@@](CCCNC(=O)OC(C)(C)C)(Cc1ncn2c1CCc1cc(C3CCCCC3)ccc1-2)C(=O)Oc1ccccc1)N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 5/20 0.36
ACE P12821 1/20 0.34
BCHE P06276 5/20 0.33
ACHE P22303 2/20 0.33
DRD2 P14416 3/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
NR1I3 Q14994 1/20 0.31

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
SCHEMBL2232584 0.90 DRD2 (0.33) ACEBCHEACHEDRD2NR1I3
SCHEMBL2234784 0.90 BCHE (0.32) ACEBCHEACHEDRD2KEAP1
SCHEMBL2235746 0.90 DRD2 (0.34) ACEBCHEACHEDRD2NR1I3
SCHEMBL2237504 0.89 ACE (0.38) ACEBCHEACHEDRD2NR1I3
SCHEMBL2236732 0.89 ACE (0.38) ACEBCHEACHEDRD2NR1I3
SCHEMBL2235860 0.88 PDK1 (0.32) ACEBCHEACHEDRD2NR1I3
SCHEMBL2383494 0.88 DRD2 (0.32) ACEBCHEACHEDRD2
SCHEMBL2235898 0.77 MEN1 (0.40) NPC1L1ACE
SCHEMBL2235104 0.72 ACE (0.41) ACEDRD2NR1I3
SCHEMBL2233419 0.70 ACE (0.41) ACEDRD2NR1I3

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 NPC1L1 4612/4885ACE 473/4885BCHE 527/4885

“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.