SCHEMBL14910261

SCHEMBL14910261

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.40
MAPK1 P28482 1/20 0.40
PDF Q9HBH1 1/20 0.35
GPR84 Q9NQS5 7/20 0.35
CA1 P00915 3/20 0.35
SPHK1 Q9NYA1 1/20 0.35
FFAR1 O14842 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ACHE P22303 1/20 0.33
BACE1 P56817 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
SCHEMBL14909876 0.89 CHRM1 (0.34) CA2MAPK1
SCHEMBL14910768 0.86 PTGS1 (0.30)
SCHEMBL14910256 0.82 TSHR (0.30)
SCHEMBL14910440 0.81 SLC1A2 (0.41) CA2MAPK1PDFCA1SPHK1
SCHEMBL14910442 0.81 SLC1A2 (0.41) CA2MAPK1PDFCA1SPHK1
SCHEMBL14910117 0.77 RNPEP (0.33)
SCHEMBL15611299 0.77 ALDH1A1 (0.32)
SCHEMBL14910534 0.76 DUT (0.30)
SCHEMBL15239244 0.74 CA2 (0.41) CA2MAPK1PDFGPR84CA1
SCHEMBL14910497 0.74 SLC1A2 (0.34) SLC1A3SLC1A2SLC1A1

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 CA2 688/4885MAPK1 334/4885PDF 2568/4885

“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.