SCHEMBL2235328

SCHEMBL2235328

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
CTSK P43235 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
DRD2 P14416 5/20 0.37
NR1I3 Q14994 4/20 0.36
SIRT5 Q9NXA8 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34

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
SCHEMBL2382108 0.91 ACE (0.41) ACECTSKCTSLCTSBTDP1
SCHEMBL2234465 0.90 ACE (0.42) ACECTSKCTSLCTSBTDP1
SCHEMBL2233402 0.87 ACE (0.40) ACETDP1DRD2NR1I3SIRT5
SCHEMBL2234466 0.87 MEN1 (0.47) ACETDP1DRD2NR1I3SIRT5
SCHEMBL2238532 0.87 MEN1 (0.47) ACETDP1DRD2NR1I3SIRT5
SCHEMBL2236787 0.87 MEN1 (0.47) ACETDP1DRD2NR1I3SIRT5
SCHEMBL12255878 0.85 CPB2 (0.35) ACEMEN1GAAKMT2A
Hydrochloric Acid SCHEMBL2238327 0.85 CPB2 (0.34) ACEMEN1GAAKMT2A
SCHEMBL2233645 0.82 ACE (0.38) ACECTSKCTSLCTSBTDP1
SCHEMBL2233958 0.82 MEN1 (0.45) ACECTSKTDP1DRD2NR1I3

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 473/4885BCHE 527/4885ACHE 434/4885

“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.