SCHEMBL2724779

SCHEMBL2724779

CC(C)C(O)(c1ccncn1)c1ccc2c(C(F)(F)F)c(OC(F)F)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
PDE4A P27815 1/20 0.34
CYP17A1 P05093 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SYK P43405 2/20 0.31
SCN9A Q15858 2/20 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
SCHEMBL2725463 0.85 PDE4A (0.37) CYP3A4PDE4ACYP17A1CYP2C9CYP2C19
SCHEMBL2723714 0.83 CYP3A4 (0.40) CYP3A4
SCHEMBL2723287 0.81 CYP3A4 (0.38) CYP3A4PDE4ACYP17A1
SCHEMBL2723597 0.77 CYP3A4 (0.50) CYP3A4CYP17A1CYP2C9CYP2C19SCN9A
SCHEMBL2724416 0.77 CYP3A4 (0.36) CYP3A4CYP17A1
SCHEMBL2723719 0.75 CYP3A4 (0.50) CYP3A4CYP17A1CYP2C9SCN9A
SCHEMBL15294420 0.69 CYP3A4 (0.50) CYP3A4
SCHEMBL5020174 0.68 CYP17A1 (0.36) CYP3A4PDE4ACYP17A1CYP2C9CYP2C19
SCHEMBL2723699 0.68 CYP3A4 (0.48) CYP3A4
SCHEMBL4562418 0.67 NT5E (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 12 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 claimed
EP-2632903-A2 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2013-09-04 EP claimed
WO-2012058529-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-03 WO claimed
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-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
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
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 CYP3A4 558/4885PDE4A 1932/4885CYP17A1 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.