SCHEMBL16675908

SCHEMBL16675908

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.39
CTSK P43235 1/20 0.38
CDK2 P24941 6/20 0.36
CCNA2 P20248 2/20 0.36
CCNA1 P78396 2/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
ATM Q13315 1/20 0.35
RET P07949 1/20 0.35
CCNE1 P24864 4/20 0.35
HCAR3 P49019 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MPI P34949 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL16675903 0.91 MAPK1 (0.39) MAPK1CTSKCDK2CCNA2CCNA1
SCHEMBL16682110 0.86 MAPK1 (0.36) MAPK1CDK2RETCCNE1HCAR3
SCHEMBL16675893 0.84 MAPK1 (0.38) MAPK1CTSKCDK2CCNA2CCNA1
SCHEMBL16675916 0.82 CDK2 (0.48) MAPK1CDK2CCNA2CCNA1NPC1
SCHEMBL16675895 0.81 CDK2 (0.38) MAPK1CTSKCDK2CCNA2CCNA1
SCHEMBL16675914 0.79 NPC1 (0.47) MAPK1CTSKCDK2CCNA2CCNA1
SCHEMBL16675905 0.79 MAPK1 (0.45) MAPK1RET
SCHEMBL16675901 0.79 MAPK1 (0.39) MAPK1CDK2CCNE1
SCHEMBL16675920 0.79 CDK2 (0.39) MAPK1CTSKCDK2CCNA2CCNA1
SCHEMBL16675925 0.78 CDK2 (0.39) MAPK1CTSKCDK2CCNA2CCNA1

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 MAPK1 3291/4885CTSK 2079/4885CDK2 3048/4885

“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.