SCHEMBL9905327

SCHEMBL9905327

CC(C)(C)N/C(=N/C(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(C(=O)O)n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 2/20 0.38
HDAC6 Q9UBN7 1/20 0.37
MAPK1 P28482 2/20 0.37
MAP2K4 P45985 2/20 0.37
MAPK6 Q16659 2/20 0.37
MAPKAPK3 Q16644 1/20 0.37
MAPKAPK5 Q8IW41 1/20 0.37
IGFBP3 P17936 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ASPH Q12797 1/20 0.35
RIOX2 Q8IUF8 1/20 0.35
KDM8 Q8N371 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
SNCA P37840 2/20 0.35
PDE2A O00408 1/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34

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
SCHEMBL9905332 1.00 P2RY14 (0.38) P2RY14HDAC6MAPK1MAP2K4MAPK6
SCHEMBL9905817 0.90 TP53 (0.37) P2RY14HDAC6MAPK1TRPV1TLR7
SCHEMBL9905819 0.90 TP53 (0.37) P2RY14HDAC6MAPK1TRPV1TLR7
SCHEMBL17088958 0.88 DAO (0.37) P2RY14MAPK1MAP2K4MAPK6MAPKAPK3
SCHEMBL9921034 0.87 HDAC6 (0.39) P2RY14HDAC6MAPK1MAP2K4MAPK6
SCHEMBL18558594 0.87 HDAC6 (0.39) P2RY14HDAC6TRPV1PDE2APRKAB2
SCHEMBL18558030 0.86 GRM5 (0.41) P2RY14KDM4ETRPV1SNCAPDE2A
SCHEMBL9905358 0.85 SNCA (0.48) P2RY14HDAC6MAPK1MAP2K4MAPK6
SCHEMBL9905362 0.85 SNCA (0.48) P2RY14HDAC6MAPK1MAP2K4MAPK6
SCHEMBL18558333 0.83 SNCA (0.41) P2RY14HDAC6KDM4ESNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
US-20150080377-A1 DEUTERIUM-ENRICHED PYRIDINONECARBOXAMIDES AND DERIVATIVES DHANOA DALJIT SINGH (US) 2015-03-19 US disclosed
EP-2648511-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF Lycera Corporation (US) 2013-10-16 EP disclosed
WO-2012078874-A1 PYRAZOLYL 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 (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-20150080377-A1 DEUTERIUM-ENRICHED PYRIDINONECARBOXAMIDES AND DERIVATIVES HTR4, HTR5A, HTR1A P2RY14 328/4885HDAC6 1226/4885MAPK1 1849/4885
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME P2RY14 275/4885HDAC6 2034/4885MAPK1 2483/4885

“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.