SCHEMBL17088570

SCHEMBL17088570

CC(C)c1cc(C(F)F)[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.37
HCAR3 P49019 1/20 0.37
ALOX15 P16050 1/20 0.32
KDM5A P29375 1/20 0.30

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
SCHEMBL3294976 0.84 ALOX15 (0.34) ALOX15
SCHEMBL786337 0.84 HCAR2 (0.50) HCAR2HCAR3
Hydrochloric Acid SCHEMBL31389982 0.82 HCAR2 (0.48) HCAR2HCAR3
SCHEMBL17308694 0.78 HCAR2 (0.33) HCAR2HCAR3KDM5A
SCHEMBL20363473 0.78 HCAR2 (0.37) HCAR2HCAR3
SCHEMBL15831686 0.74 HCAR2 (0.38) HCAR2HCAR3
SCHEMBL21389692 0.73
SCHEMBL2763090 0.73
SCHEMBL26202951 0.72 HCAR2 (0.33) HCAR2HCAR3KDM5A
SCHEMBL18343618 0.71 ALDH1A1 (0.34)

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-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

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-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME HCAR2 4338/4885HCAR3 4329/4885ALOX15 4300/4885

“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.