SCHEMBL2237504

SCHEMBL2237504

CC(C[C@@](CCCNC(=O)OC(C)(C)C)(Cc1ncn2c1CCc1ccccc1-2)C(=O)Oc1ccccc1)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.38
DRD2 P14416 6/20 0.37
NR1I3 Q14994 2/20 0.36
TDP1 Q9NUW8 1/20 0.34
BCHE P06276 2/20 0.33
UTS2R Q9UKP6 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL2236732 1.00 ACE (0.38) ACEDRD2NR1I3TDP1BCHE
SCHEMBL2232584 0.93 DRD2 (0.33) ACEDRD2NR1I3TDP1BCHE
SCHEMBL2235746 0.92 DRD2 (0.34) ACEDRD2NR1I3BCHEUTS2R
SCHEMBL2383494 0.91 DRD2 (0.32) ACEDRD2BCHEUTS2RACHE
SCHEMBL2235860 0.91 PDK1 (0.32) ACEDRD2NR1I3BCHEUTS2R
SCHEMBL2233936 0.89 NPC1L1 (0.36) ACEDRD2NR1I3BCHEACHE
SCHEMBL2234784 0.88 BCHE (0.32) ACEDRD2BCHEACHE
SCHEMBL2235104 0.82 ACE (0.41) ACEDRD2NR1I3TDP1SIRT5
SCHEMBL2233419 0.80 ACE (0.41) ACEDRD2NR1I3TDP1SIRT5
SCHEMBL2235338 0.80 ACE (0.39) ACEDRD2NR1I3BCHESIRT5

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 ACE 473/4885DRD2 3857/4885NR1I3 1315/4885

“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.