SCHEMBL1277774

SCHEMBL1277774

C/C(=C\c1ccccc1-c1ccc(O)c(C)c1)C(=O)NC(=N)N

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.37
MCL1 Q07820 2/20 0.37
TLR8 Q9NR97 1/20 0.36
APP P05067 1/20 0.34
HSD17B1 P14061 6/20 0.33
HSD17B2 P37059 6/20 0.33
PRSS1 P07477 2/20 0.33
PIM1 P11309 1/20 0.32
ESR2 Q92731 2/20 0.32
F2 P00734 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
ESR1 P03372 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL1277281 0.92 APP (0.43) F10MCL1APPPRSS1F2
SCHEMBL1277175 0.88 F10 (0.34) F10
SCHEMBL1277373 0.88 F10 (0.39) F10APPPRSS1ESR2F2
SCHEMBL1277387 0.86 FYN (0.39) APPBACE1
SCHEMBL1277699 0.85 F10 (0.37) F10APPPRSS1
SCHEMBL1277277 0.84 BACE1 (0.40) F10HSD17B1PRSS1ESR2BACE1
SCHEMBL1277389 0.84 BAZ2B (0.38) F10HSD17B1HSD17B2BACE1
SCHEMBL1277133 0.83 F10 (0.37) F10PRSS1F2BACE1
SCHEMBL1277160 0.82 SMN1; SMN2 (0.41) F10HSD17B1PRSS1
SCHEMBL1277698 0.82 MAPT (0.36) F10

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-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 US disclosed
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 US disclosed
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 US 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 (2 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-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 F10 4727/4885MCL1 2784/4885TLR8 3843/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 F10 4727/4885MCL1 2784/4885TLR8 3843/4885

“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.