SCHEMBL2235104

SCHEMBL2235104

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.41
DRD2 P14416 6/20 0.40
NR1I3 Q14994 5/20 0.39
SIRT5 Q9NXA8 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL2235338 0.93 ACE (0.39) ACEDRD2NR1I3SIRT5
SCHEMBL2233419 0.87 ACE (0.41) ACEDRD2NR1I3SIRT5TDP1
SCHEMBL2233656 0.86 ACE (0.38) ACEDRD2NR1I3SIRT5HDAC3
SCHEMBL2236732 0.82 ACE (0.38) ACEDRD2NR1I3SIRT5TDP1
SCHEMBL2237504 0.82 ACE (0.38) ACEDRD2NR1I3SIRT5TDP1
SCHEMBL2236787 0.80 MEN1 (0.47) ACEDRD2NR1I3SIRT5TDP1
SCHEMBL2234466 0.80 MEN1 (0.47) ACEDRD2NR1I3SIRT5TDP1
SCHEMBL2238532 0.80 MEN1 (0.47) ACEDRD2NR1I3SIRT5TDP1
SCHEMBL2382108 0.78 ACE (0.41) ACEDRD2NR1I3SIRT5TDP1
SCHEMBL2235166 0.78 ACE (0.38) ACEDRD2NR1I3SIRT5

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.