SCHEMBL3597014

SCHEMBL3597014

CC(C)(C)OC(=O)NC(=O)[C@@H]1CCN1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
BTK Q06187 1/20 0.37
GAA P10253 2/20 0.36
EPHX1 P07099 1/20 0.36
SCN9A Q15858 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SCN5A Q14524 1/20 0.35
CTSK P43235 2/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6872992 1.00 PRCP (0.39) PRCPNFKB1NFKB2RELABTK
SCHEMBL28232408 0.92 PRCP (0.43) PRCPNFKB1NFKB2RELABTK
SCHEMBL7299117 0.92 PRCP (0.43) PRCPNFKB1NFKB2RELABTK
SCHEMBL373560 0.92 PRCP (0.43) PRCPNFKB1NFKB2RELABTK
SCHEMBL4630085 0.90 SCN9A (0.39) PRCPNFKB1NFKB2RELABTK
SCHEMBL3610491 0.90 SCN9A (0.39) PRCPNFKB1NFKB2RELABTK
SCHEMBL4696693 0.83 SPHK1 (0.38) NFKB1NFKB2RELABTKGAA
SCHEMBL8554595 0.83 NFKB1 (0.35) NFKB1NFKB2RELABTKGAA
SCHEMBL8554345 0.83 NFKB1 (0.35) NFKB1NFKB2RELABTKGAA
SCHEMBL16857339 0.82 CHRM2 (0.36) NFKB1NFKB2RELABTKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US disclosed
EP-1919864-A2 FAP INHIBITORS Ferring B.V. (NL) 2008-05-14 EP disclosed
WO-2007085895-A2 FAP INHIBITORS FERRING B.V. (US) 2007-08-02 WO disclosed
EP-1760076-A1 FAP Inhibitors FERRING B.V. (NL) 2007-03-07 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-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 PRCP 64/4885NFKB1 1453/4885NFKB2 1634/4885

“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.