SCHEMBL16675945

SCHEMBL16675945

CC(C)(O)CN/C(=N/C(=O)C1CCC(F)(F)CC1)Nc1n[nH]c2cc(F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.44
GSK3A P49840 4/20 0.44
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.38
AAK1 Q2M2I8 6/20 0.38
CDK2 P24941 2/20 0.38
PIK3CD O00329 1/20 0.38
PIM1 P11309 1/20 0.38
GAK O14976 3/20 0.38
STK16 O75716 3/20 0.38
BMP2K Q9NSY1 3/20 0.38
CDKL2 Q92772 1/20 0.37
RIPK1 Q13546 3/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL16675958 0.81 GSK3B (0.43) GSK3BGSK3ACYP1A2AAK1CDK2
SCHEMBL16675964 0.78 GSK3B (0.49) GSK3BGSK3ACYP1A2AAK1CDK2
SCHEMBL19976744 0.78 GSK3B (0.45) GSK3BGSK3AMAPK1CYP1A2AAK1
SCHEMBL16675927 0.78 RET (0.37) GSK3BCDK2
SCHEMBL16675963 0.78 GSK3B (0.48) GSK3BGSK3ACYP1A2AAK1CDK2
SCHEMBL16752833 0.77 HDAC6 (0.45) GSK3BMAPK1CYP1A2HDAC6
SCHEMBL19976886 0.77 GSK3B (0.43) GSK3BGSK3AMAPK1CYP1A2HDAC6
SCHEMBL16752836 0.77 HDAC6 (0.45) GSK3BMAPK1CYP1A2HDAC6
SCHEMBL16769264 0.77 HDAC6 (0.45) GSK3BMAPK1CYP1A2HDAC6
SCHEMBL16682078 0.76 CACNA1I (0.35) GSK3BCDK2

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 4 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-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
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 GSK3B 4407/4885GSK3A 4056/4885MAPK1 3291/4885

“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.