SCHEMBL2233649

SCHEMBL2233649

Cc1oc(=O)oc1CC(CC[C@@H](Cc1ncn2c1CCc1ccccc1-2)C(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.36
SIRT5 Q9NXA8 1/20 0.35
NR1I3 Q14994 4/20 0.33
NPY1R P25929 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
ACE P12821 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
SCHEMBL2382110 0.86 SCN9A (0.39) SCN9ASIRT5NR1I3CTSLCTSB
SCHEMBL2235332 0.83 CTSK (0.41) SCN9ASIRT5CTSLCTSBCTSK
Hydrochloric Acid SCHEMBL2236687 0.83 FOLH1 (0.35)
SCHEMBL2233412 0.82 SCN9A (0.39) SCN9ASIRT5NR1I3CTSLCTSB
SCHEMBL2237273 0.81 ACE (0.36) ACE
SCHEMBL2233645 0.81 ACE (0.38) SIRT5NR1I3CTSLCTSBCTSK
Hydrochloric Acid SCHEMBL2236691 0.81 FOLH1 (0.34)
SCHEMBL2234466 0.79 MEN1 (0.47) SCN9ASIRT5NR1I3ACE
SCHEMBL2238532 0.79 MEN1 (0.47) SCN9ASIRT5NR1I3ACE
SCHEMBL2236787 0.79 MEN1 (0.47) SCN9ASIRT5NR1I3ACE

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 SCN9A 1709/4885SIRT5 1951/4885NR1I3 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.