SCHEMBL1277503

SCHEMBL1277503

C/C(=C\c1ccc(C)cc1-c1ccc(F)c(O)c1)C(=O)NC(=N)N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
SLC9A3 P48764 2/20 0.36
SLC9A1 P19634 2/20 0.36
HSD17B14 Q9BPX1 2/20 0.35
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
LCK P06239 1/20 0.33
CDK1 P06493 1/20 0.33
FLT1 P17948 1/20 0.33
AXL P30530 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
FRK P42685 1/20 0.33
CLK2 P49760 1/20 0.33
BLK P51451 1/20 0.33
CSNK1G2 P78368 1/20 0.33
ITK Q08881 1/20 0.33
ROCK1 Q13464 1/20 0.33
AURKB Q96GD4 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
SCHEMBL1277298 0.92 AR (0.42) ARHSD17B14F10HSD17B1HSD17B2
SCHEMBL1277605 0.92 SLC9A3 (0.36) ARSLC9A3SLC9A1ROCK2MAP4K4
SCHEMBL1277355 0.91 SLC9A3 (0.39) SLC9A3SLC9A1F10GRM2
SCHEMBL1277922 0.86 F10 (0.36) SLC9A3SLC9A1ROCK2MAP4K4LCK
SCHEMBL1277438 0.85 SLC9A3 (0.40) SLC9A3SLC9A1F10HSD17B1GRM2
SCHEMBL1277172 0.85 SLC9A3 (0.35) SLC9A3SLC9A1KDR
SCHEMBL1277372 0.83 FYN (0.40) SLC9A3SLC9A1
SCHEMBL1277251 0.83 SLC9A3 (0.38) SLC9A3SLC9A1HSD17B1HSD17B2
SCHEMBL1277253 0.80 AR (0.42) ARF10HSD17B1HSD17B2
SCHEMBL1277373 0.78 F10 (0.39) 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 AR 4056/4885SLC9A3 1/4885SLC9A1 4/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 AR 4056/4885SLC9A3 1/4885SLC9A1 4/4885

“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.