SCHEMBL19954522

SCHEMBL19954522

CC(C)c1cc(C(F)(F)F)nn1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.51
PTGS1 P23219 9/20 0.51
CACNA1H O95180 1/20 0.42
KCNH2 Q12809 1/20 0.42
NR3C2 P08235 2/20 0.41
CRACR2A Q9BSW2 1/20 0.41

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
SCHEMBL12789821 0.88 GRN (0.43) PTGS2PTGS1CACNA1HKCNH2
SCHEMBL14129178 0.87 PTGS1 (0.59) PTGS2PTGS1NR3C2
SCHEMBL30677078 0.85 PTGS1 (0.43) PTGS2PTGS1KCNH2CRACR2A
SCHEMBL30677118 0.82 PDPK1 (0.50) PTGS2PTGS1CRACR2A
SCHEMBL30443569 0.82 KLKB1 (0.49) PTGS2PTGS1
SCHEMBL31546298 0.80 PDPK1 (0.41) PTGS2PTGS1CRACR2A
SCHEMBL18163944 0.79 PTGS2 (0.55) PTGS2PTGS1KCNH2
SCHEMBL18161148 0.79 PPARA (0.47) CACNA1HKCNH2
SCHEMBL25511207 0.78 PTGS1 (0.46) PTGS2PTGS1
SCHEMBL25511208 0.78 PTGS1 (0.46) PTGS2PTGS1

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 PTGS2 768/4885PTGS1 425/4885CACNA1H 3855/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D PTGS2 768/4885PTGS1 425/4885CACNA1H 3855/4885

“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.