SCHEMBL14908702

SCHEMBL14908702

C[C@@H](C(O)c1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
AOC3 Q16853 1/20 0.51
GAA P10253 1/20 0.50
SLC6A4 P31645 1/20 0.46
NPY5R Q15761 7/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
NPY2R P49146 1/20 0.43

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
SCHEMBL5065158 1.00 KDM4E (0.55) KDM4EALDH1A1AOC3GAASLC6A4
SCHEMBL5065151 1.00 KDM4E (0.55) KDM4EALDH1A1AOC3GAASLC6A4
SCHEMBL20492448 0.87 ALDH1A1 (0.40) KDM4EALDH1A1AOC3GAASLC6A4
SCHEMBL7647994 0.87 NPY5R (0.46) KDM4EALDH1A1AOC3GAASLC6A4
SCHEMBL20492498 0.85 ALOX5 (0.41) KDM4EALDH1A1AOC3GAASLC6A4
SCHEMBL14909184 0.85 KDM4E (0.39) KDM4EALDH1A1AOC3GAA
SCHEMBL837657 0.85 ACP3 (0.40) KDM4EALDH1A1AOC3GAANPY5R
SCHEMBL835711 0.84 UGT2B7 (0.49) AOC3SLC6A4HIF1A
SCHEMBL19459927 0.83 GAA (0.44) KDM4EALDH1A1AOC3GAASLC6A4
SCHEMBL19517259 0.83 GAA (0.44) KDM4EALDH1A1AOC3GAASLC6A4

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
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK KDM4E 2420/4885ALDH1A1 1638/4885AOC3 1986/4885

“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.