SCHEMBL14910440

SCHEMBL14910440

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
SLC1A3 P43003 1/20 0.41
CA2 P00918 4/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 2/20 0.38
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
SLC15A1 P46059 1/20 0.37
METAP1 P53582 1/20 0.36
PDF Q9HBH1 2/20 0.35
DPP7 Q9UHL4 3/20 0.34
DPP8 Q6V1X1 2/20 0.34
TP53 P04637 1/20 0.33
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL14910442 1.00 SLC1A2 (0.41) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL14910495 0.90 SLC1A2 (0.34) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL14910497 0.90 SLC1A2 (0.34) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL14910411 0.82 SLC1A3 (0.31) SLC1A2SLC1A1SLC1A3
SCHEMBL14910717 0.82 SLC1A3 (0.31) SLC1A2SLC1A1SLC1A3
SCHEMBL14910261 0.81 CA2 (0.40) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL14908571 0.77 SLC7A5 (0.41) SLC1A2SLC1A1SLC1A3MAPK1
SCHEMBL14908569 0.77 SLC7A5 (0.41) SLC1A2SLC1A1SLC1A3MAPK1
SCHEMBL14910081 0.74 ALDH1A1 (0.33) DPP4
SCHEMBL14909609 0.74 ALDH1A1 (0.33) DPP4

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 SLC1A2 3361/4885SLC1A1 2279/4885SLC1A3 2372/4885

“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.