SCHEMBL16682128

SCHEMBL16682128

CC(C)CC(=O)/N=C(\Nc1cc(C(F)(F)F)[nH]n1)NC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
LCK P06239 1/20 0.37
SRC P12931 1/20 0.37
IDO1 P14902 2/20 0.33
STK25 O00506 2/20 0.33
CRHR1 P34998 1/20 0.33
CIT O14578 1/20 0.33
MAPK14 Q16539 1/20 0.32
KDR P35968 2/20 0.32
ALOX15 P16050 1/20 0.31
CBLB Q13191 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
SCHEMBL16682107 0.86 RET (0.37) RETLCKSRCIDO1STK25
SCHEMBL16675921 0.85 CCNA2 (0.40) RETPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16682130 0.83 STK25 (0.39) RETPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16682080 0.82 CCNE1 (0.37) RETLCKSRCIDO1STK25
SCHEMBL16682113 0.80 CRHR1 (0.38) RETLCKSRCIDO1STK25
SCHEMBL16682115 0.80 CRHR1 (0.36) RETPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16682121 0.80 CYP2D6 (0.48) RETLCKSRCIDO1CRHR1
SCHEMBL16682182 0.79 CACNA1H (0.41) RETLCKSRC
SCHEMBL16682133 0.79 EGFR (0.40) RETLCKSRCSTK25
SCHEMBL16682178 0.79 CNR2 (0.40) RETLCKSRCSTK25CRHR1

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 4696/4885PRKAB2 422/4885PRKAG1 129/4885

“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.