SCHEMBL2235332

SCHEMBL2235332

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
SIRT5 Q9NXA8 1/20 0.39
SCN9A Q15858 3/20 0.37
ACE P12821 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 0.91 SCN9A (0.39) CTSKCTSLCTSBSIRT5SCN9A
SCHEMBL2233412 0.85 SCN9A (0.39) CTSKCTSLCTSBSIRT5SCN9A
SCHEMBL2234466 0.84 MEN1 (0.47) SIRT5SCN9AACE
SCHEMBL2236787 0.84 MEN1 (0.47) SIRT5SCN9AACE
SCHEMBL2238532 0.84 MEN1 (0.47) SIRT5SCN9AACE
SCHEMBL12255717 0.83 PPARG (0.40) ACE
SCHEMBL12255718 0.83 PPARG (0.40) ACE
SCHEMBL2233649 0.83 SCN9A (0.36) CTSKCTSLCTSBSIRT5SCN9A
Hydrochloric Acid SCHEMBL2238333 0.81 GRIN1 (0.36) ACE
Hydrochloric Acid SCHEMBL2238330 0.81 CPB2 (0.33) ACE

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 CTSK 616/4885CTSL 998/4885CTSB 565/4885

“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.