SCHEMBL16682117

SCHEMBL16682117

CCC(CC)CC(=O)/N=C(/NCC(C)(C)O)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.36
LCK P06239 1/20 0.35
SRC P12931 1/20 0.35
IDO1 P14902 1/20 0.33
STK25 O00506 1/20 0.33
CRHR1 P34998 1/20 0.33
CACNA1I Q9P0X4 1/20 0.32
MAPK14 Q16539 1/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
ALOX15 P16050 1/20 0.31
CFTR P13569 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL16682107 0.90 RET (0.37) RETLCKSRCIDO1STK25
SCHEMBL16675915 0.87 CCNA2 (0.37) RETLCKSRCCDK2
SCHEMBL18556891 0.85 RET (0.37) RETLCKSRCSTK25CRHR1
SCHEMBL16682120 0.81 NPY5R (0.38) RETLCKSRCMAPK14CCNE1
SCHEMBL16682168 0.80 P2RX7 (0.37) RETLCKSRCSTK25CCNE1
SCHEMBL16682109 0.80 CACNA1I (0.38) RETLCKSRCSTK25CRHR1
SCHEMBL16682081 0.77 CACNA1I (0.35) RETLCKSRCSTK25CRHR1
SCHEMBL16682128 0.76 RET (0.39) RETLCKSRCIDO1STK25
SCHEMBL16675902 0.76 CCNA2 (0.38) RETLCKSRCCDK2
SCHEMBL18556909 0.76 RET (0.33) RETLCKSRCSTK25CACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 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 (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-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C RET 4696/4885LCK 1706/4885SRC 4410/4885

“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.