SCHEMBL2236735

SCHEMBL2236735

CC(C(c1ccccc1)C(CC[C@@H](Cc1ncn2c1CCc1ccccc1-2)C(=O)O)NC(=O)OC(C)(C)C)N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 3/20 0.37
SCN9A Q15858 7/20 0.34
CTSK P43235 2/20 0.34
CTSL P07711 5/20 0.34
CTSB P07858 1/20 0.34
KLK5 Q9Y337 1/20 0.33
GRM7 Q14831 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
SCHEMBL2232588 0.93 NR1I3 (0.32) NR1I3CTSLKLK5
SCHEMBL2237782 0.92 SCN9A (0.35) NR1I3SCN9ACTSKCTSLKLK5
SCHEMBL2383561 0.92 GABRA1 (0.33) NR1I3SCN9ACTSKCTSLCTSB
SCHEMBL2383499 0.90 KLK5 (0.31) NR1I3CTSKCTSLKLK5
SCHEMBL2235865 0.90 NR1I3 (0.31) NR1I3
SCHEMBL2234791 0.88 PPARG (0.33) CTSLKLK5
SCHEMBL2233412 0.87 SCN9A (0.39) NR1I3SCN9ACTSKCTSLCTSB
SCHEMBL2382110 0.81 SCN9A (0.39) NR1I3SCN9ACTSKCTSLCTSB
SCHEMBL2382067 0.80 SCN9A (0.36) NR1I3SCN9ACTSKCTSLCTSB
SCHEMBL2238532 0.79 MEN1 (0.47) NR1I3SCN9A

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 NR1I3 1315/4885SCN9A 1709/4885CTSK 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.