SCHEMBL2232600

SCHEMBL2232600

COC(=O)C(CCCN(C)C(=O)OC(C)(C)C)Cc1ncn2c1CCc1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.36
SLC6A4 P31645 2/20 0.35
NR1I3 Q14994 4/20 0.34
METAP2 P50579 1/20 0.33
CTSK P43235 2/20 0.33
CACNA1B Q00975 1/20 0.33
HTR2C P28335 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CXCR4 P61073 1/20 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
SCHEMBL12255869 0.83 GRIN1 (0.37)
Hydrochloric Acid SCHEMBL2233752 0.82 GRIN1 (0.36)
SCHEMBL2382108 0.78 ACE (0.41) SIRT5NR1I3CTSKCTSLCTSB
SCHEMBL2233402 0.78 ACE (0.40) SIRT5NR1I3
SCHEMBL2234466 0.77 MEN1 (0.47) SIRT5NR1I3
SCHEMBL2236787 0.77 MEN1 (0.47) SIRT5NR1I3
SCHEMBL2238532 0.77 MEN1 (0.47) SIRT5NR1I3
SCHEMBL2235328 0.75 ACE (0.39) SIRT5NR1I3CTSKCTSLCTSB
SCHEMBL10293896 0.75 ACE (0.40)
Hydrochloric Acid SCHEMBL2236522 0.74 ACE (0.39)

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 SIRT5 1951/4885SLC6A4 3961/4885NR1I3 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.