SCHEMBL2237782

SCHEMBL2237782

CC(C(c1ccccc1)C(CC[C@@H](Cc1ncn2c1CCc1cc(F)ccc1-2)C(=O)O)NC(=O)OC(C)(C)C)N1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.35
CTSL P07711 2/20 0.32
NR1I3 Q14994 1/20 0.32
CTSS P25774 2/20 0.31
KLK5 Q9Y337 1/20 0.31
CTSK P43235 1/20 0.30
CYP3A4 P08684 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
KCNK3 O14649 1/20 0.30

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
SCHEMBL2383561 0.92 GABRA1 (0.33) SCN9ACTSLNR1I3CTSSKLK5
SCHEMBL2236735 0.92 NR1I3 (0.37) SCN9ACTSLNR1I3KLK5CTSK
SCHEMBL2383499 0.91 KLK5 (0.31) CTSLNR1I3KLK5CTSK
SCHEMBL2235865 0.91 NR1I3 (0.31) NR1I3
SCHEMBL2234791 0.88 PPARG (0.33) CTSLCTSSKLK5KCNK3
SCHEMBL2233412 0.79 SCN9A (0.39) SCN9ACTSLNR1I3KLK5CTSK
SCHEMBL2237078 0.79 MEN1 (0.43) SCN9ACTSSCTSK
SCHEMBL2234628 0.79 MEN1 (0.43) SCN9ACTSSCTSK
SCHEMBL2382067 0.74 SCN9A (0.36) SCN9ACTSLNR1I3KLK5CTSK
SCHEMBL2382110 0.74 SCN9A (0.39) SCN9ACTSLNR1I3CTSK

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 1709/4885CTSL 998/4885NR1I3 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.