SCHEMBL19954655

SCHEMBL19954655

CC(C)c1cc(C(F)(F)F)nn1C1CCN(CC(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
SFRP1 Q8N474 1/20 0.34
SOS1 Q07889 1/20 0.34
NR3C2 P08235 1/20 0.33
USP2 O75604 1/20 0.33
KHK P50053 5/20 0.33
TACR1 P25103 2/20 0.33
GSK3B P49841 1/20 0.33
MDM2 Q00987 1/20 0.33
PDE10A Q9Y233 1/20 0.33
SLC6A9 P48067 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL19954579 0.91 NR3C2 (0.36) GAAKMT2ATLR9TLR8TLR7
SCHEMBL19954593 0.87 GAA (0.35) GAAKMT2ANR3C2USP2KHK
SCHEMBL18164063 0.86 GAA (0.44) GAAKMT2ASFRP1NR3C2USP2
SCHEMBL19954591 0.85 MAPK1 (0.35) GAATLR9TLR8TLR7NR3C2
SCHEMBL19954595 0.85 IL1B (0.35) GAAKMT2ATLR9TLR8TLR7
SCHEMBL21023768 0.85 POLB (0.33) GAATLR9TLR8TLR7NR3C2
SCHEMBL18161159 0.83 KDM5A (0.43) KMT2ATLR9TLR8TLR7GSK3B
SCHEMBL19954576 0.82 HTR2A (0.38) GAAKMT2ANR3C2TACR1TRPV1
SCHEMBL19954520 0.81 KDM5A (0.39) NR3C2TACR1
SCHEMBL19954568 0.81 IRAK4 (0.38) GAANR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2019-08-27 US disclosed
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION 2018-08-09 US disclosed
US-9914706-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-13 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 (2 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-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof ATP5F1A, ATP5ME, ATP5F1D GAA 202/4885KMT2A 4057/4885TLR9 2268/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D GAA 202/4885KMT2A 4057/4885TLR9 2268/4885

“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.