SCHEMBL14923555

SCHEMBL14923555

C[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.44
▸ CTSS P25774 3/20 0.44
▸ TRPA1 O75762 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ SCN9A Q15858 3/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CNR1 P21554 1/20 0.37

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
SCHEMBL14931146 1.00 CTSK (0.44) CTSKCTSSTRPA1HTTCA1
SCHEMBL15081303 0.86 PPARG (0.45) CTSKCTSSCA1CA2CA7
SCHEMBL15081441 0.86 TRPA1 (0.39) CTSKCTSSTRPA1CA1CA2
SCHEMBL14923545 0.85 CTSK (0.51) CTSKCTSSHTT
SCHEMBL15632507 0.85 CTSK (0.51) CTSKCTSSHTT
SCHEMBL7400537 0.85 CTSK (0.51) CTSKCTSSHTT
SCHEMBL15632169 0.85 CTSK (0.51) CTSKCTSSHTT
SCHEMBL15081483 0.85 APP (0.42) CTSKCTSSTRPA1CA1CA2
SCHEMBL16170312 0.84 NPSR1 (0.48) CTSKCTSSCA1CA2MEN1
SCHEMBL14923554 0.84 CTSS (0.45) CTSKCTSSTRPA1HTTCA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
EP-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 — — EP disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
WO-2013099041-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF 富士フイルム株式会社 (JP) 2013-07-04 — — WO disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — 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-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 CTSK 3774/4885CTSS 4028/4885TRPA1 1881/4885

“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.

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