SCHEMBL9939769

SCHEMBL9939769

CC(C)(C)N/C(=N/C(=O)c1ccc(C(F)(F)F)cc1)Nc1cccc(NS(=O)(=O)CC(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
GRM5 P41594 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ACKR3 P25106 1/20 0.33
SORT1 Q99523 2/20 0.32
KIF11 P52732 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
RORC P51449 1/20 0.32
MCHR1 Q99705 1/20 0.32
KIF18A Q8NI77 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGDR Q13258 1/20 0.32

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
SCHEMBL9939495 0.91 RXFP1 (0.41) HSD11B1L3MBTL1GRM5CYP3A4CYP2D6
SCHEMBL9939766 0.87 BRAF (0.35) GRM5CYP3A4CYP2C9CYP2C19KIF18A
SCHEMBL16621977 0.82 EPHX2 (0.41) PPARGPPARAL3MBTL1TRPV1
SCHEMBL9939784 0.82 MEN1 (0.38) GRM5ADORA3SORT1TRPV1MCHR1
SCHEMBL16621982 0.80 RXFP1 (0.40) HSD11B1PPARGPPARAL3MBTL1GRM5
SCHEMBL16621980 0.79 KIF11 (0.39) HSD11B1PPARAGRM5ADORA3SORT1
SCHEMBL16621981 0.78 RXFP1 (0.42) HSD11B1PPARGPPARAL3MBTL1GRM5
SCHEMBL16621978 0.76 EPHX2 (0.42) PPARGKIF11TRPV1
SCHEMBL9939546 0.75 GRM5 (0.36) GRM5ADORA3ACKR3SORT1TRPV1
SCHEMBL9939756 0.75 RXFP1 (0.37) HSD11B1L3MBTL1GRM5KIF18A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 US disclosed
US-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 US disclosed
EP-2648710-B1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2016-06-15 EP disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 US disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 US disclosed
WO-2012078869-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO 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-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B HSD11B1 4602/4885PPARG 1784/4885PPARA 3382/4885

“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.