SCHEMBL2233412

SCHEMBL2233412

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.39
NR1I3 Q14994 4/20 0.39
CTSK P43235 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
KMT2A Q03164 1/20 0.36
KLK5 Q9Y337 1/20 0.35
SIRT5 Q9NXA8 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
SCHEMBL2382110 0.88 SCN9A (0.39) SCN9ANR1I3CTSKCTSLCTSB
SCHEMBL2236735 0.87 NR1I3 (0.37) SCN9ANR1I3CTSKCTSLCTSB
SCHEMBL2382067 0.85 SCN9A (0.36) SCN9ANR1I3CTSKCTSLCTSB
SCHEMBL2236787 0.85 MEN1 (0.47) SCN9ANR1I3KMT2ASIRT5
SCHEMBL2238532 0.85 MEN1 (0.47) SCN9ANR1I3KMT2ASIRT5
SCHEMBL2234466 0.85 MEN1 (0.47) SCN9ANR1I3KMT2ASIRT5
SCHEMBL2235332 0.85 CTSK (0.41) SCN9ACTSKCTSLCTSBSIRT5
SCHEMBL2233649 0.82 SCN9A (0.36) SCN9ANR1I3CTSKCTSLCTSB
SCHEMBL2233958 0.81 MEN1 (0.45) SCN9ANR1I3CTSKKMT2ASIRT5
Hydrochloric Acid SCHEMBL2237228 0.80 L3MBTL1 (0.33) KMT2A

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 1709/4885NR1I3 1315/4885CTSK 616/4885

“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.