SCHEMBL2724070

SCHEMBL2724070

CC(C)C(=O)c1ccc2cc(OC(F)F)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.47
SCN10A Q9Y5Y9 4/20 0.47
CYP17A1 P05093 1/20 0.42
CYP3A4 P08684 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
GRM2 Q14416 1/20 0.41
ABL1 P00519 1/20 0.40

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
SCHEMBL9945361 0.82 AKR1C3 (0.51) SCN9AABL1
SCHEMBL16587854 0.80 ALOX15 (0.47) CYP17A1CYP3A4ABL1
SCHEMBL9946926 0.80 CYP17A1 (0.52) SCN9ASCN10ACYP17A1
SCHEMBL4561011 0.80 HRH3 (0.59) SCN9AHRH3
SCHEMBL15294421 0.77 HSD17B14 (0.51)
SCHEMBL2723291 0.76 BACE1 (0.46) CYP3A4
SCHEMBL12798514 0.75 CNR2 (0.48)
SCHEMBL2723625 0.75 AKR1C3 (0.45) SCN9AHRH3
SCHEMBL9945362 0.74 GRM2 (0.38) SCN9AGRM2ABL1
SCHEMBL14747554 0.73 PPARA (0.33) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056855-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-06-16 US disclosed
US-9056855-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-06-16 US disclosed
US-20130261135-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-10-03 US disclosed
US-20130261135-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-10-03 US disclosed
EP-2632903-A2 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2013-09-04 EP disclosed
WO-2012058529-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-03 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 (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-20130261135-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO SCN9A 2026/4885SCN10A 2209/4885CYP17A1 649/4885

“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.