SCHEMBL19954606

SCHEMBL19954606

CC(C)c1cc(C(F)(F)F)nn1C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.41
MAP3K12 Q12852 1/20 0.36
IRAK4 Q9NWZ3 7/20 0.35
LRRK2 Q5S007 1/20 0.34
PDE10A Q9Y233 1/20 0.34
KCNH2 Q12809 1/20 0.33
FPR1 P21462 1/20 0.32
NR3C2 P08235 1/20 0.32
NTRK1 P04629 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
SCHEMBL19105611 0.90 TGFBR1 (0.35) TGFBR1MAP3K12LRRK2NR3C2
SCHEMBL19954663 0.87 NR3C2 (0.38) TGFBR1MAP3K12KCNH2NR3C2
SCHEMBL19954553 0.87 NR3C2 (0.40) TGFBR1MAP3K12KCNH2NR3C2
SCHEMBL19954574 0.87 MAP3K12 (0.43) TGFBR1MAP3K12LRRK2
SCHEMBL21024127 0.85 NR3C2 (0.40) TGFBR1MAP3K12KCNH2NR3C2
SCHEMBL19954537 0.83 PLAT (0.42) TGFBR1MAP3K12IRAK4NR3C2
SCHEMBL19954523 0.83 TGFBR1 (0.35) TGFBR1MAP3K12NR3C2NTRK1
SCHEMBL21023784 0.83 NR3C2 (0.36) TGFBR1MAP3K12NR3C2
SCHEMBL19954571 0.83 NR3C2 (0.34) TGFBR1MAP3K12NR3C2
SCHEMBL19954525 0.83 SMN1; SMN2 (0.37) TGFBR1MAP3K12IRAK4KCNH2NR3C2

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-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2019-08-27 US disclosed
EP-3080087-B1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-05-22 EP 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 TGFBR1 4644/4885MAP3K12 1341/4885IRAK4 992/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D TGFBR1 4644/4885MAP3K12 1341/4885IRAK4 992/4885

“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.