SCHEMBL1277606

SCHEMBL1277606

C/C(=C\c1ccccc1-c1cccc(C(=O)O)c1)C(=O)NC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.41
KMO O15229 1/20 0.40
F10 P00742 1/20 0.39
PLA2G2A P14555 1/20 0.39
PTGER1 P34995 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
AXL P30530 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ERN1 O75460 1/20 0.36
FOLH1 Q04609 1/20 0.36
DHODH Q02127 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35

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
SCHEMBL1277360 0.92 F10 (0.40) NR1H4F10PRSS1PRSS2PRSS3
SCHEMBL1277529 0.92 BAZ2B (0.44) F10AXLERN1BAZ2BBAZ2A
SCHEMBL1277762 0.89 ERN1 (0.42) F10AXLERN1DHODH
SCHEMBL1277229 0.89 HDAC8 (0.45) NR1H4F10PRSS1BAZ2BBAZ2A
SCHEMBL1277231 0.87 F10 (0.39) NR1H4F10PRSS1LMNADHODH
SCHEMBL1277389 0.86 BAZ2B (0.38) F10BAZ2BBAZ2A
SCHEMBL1277284 0.83 KMT2A (0.35) F10LMNA
SCHEMBL1277281 0.82 APP (0.43) F10PTGER1PRSS1
SCHEMBL1277262 0.82 ADRA2C (0.39) F10
SCHEMBL1277160 0.82 SMN1; SMN2 (0.41) F10PRSS1GAA

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-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

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 NR1H4 600/4885KMO 4165/4885F10 4727/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 NR1H4 600/4885KMO 4165/4885F10 4727/4885

“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.