SCHEMBL2054551

SCHEMBL2054551

CC(C)(C)C(=O)OCc1nc2cc(NC(=O)[C@H]3CCc4nc(C(C)(C)C(F)(F)F)ccc4C3)cnc2s1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.33
BRAF P15056 10/20 0.33
RORC P51449 2/20 0.32
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 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
SCHEMBL1208009 0.90 TRPV1 (0.37) RAF1BRAFRORCMAPT
SCHEMBL1207921 0.90 TRPV1 (0.37) RAF1BRAFRORCMAPT
SCHEMBL2054552 0.90 TRPV1 (0.37) RAF1BRAFRORCMAPT
SCHEMBL2054555 0.82
SCHEMBL14781427 0.77 TRPV1 (0.48) NPC1RAB9AMAPT
SCHEMBL1211511 0.77 TRPV1 (0.48) NPC1RAB9AMAPT
SCHEMBL1210282 0.74 RORC (0.36) RAF1BRAFRORCNPC1RAB9A
SCHEMBL1211239 0.74 RORC (0.36) RAF1BRAFRORCNPC1RAB9A
SCHEMBL1208729 0.74 RORC (0.36) RAF1BRAFRORCNPC1RAB9A
SCHEMBL909795 0.72 GHSR (0.39) RAF1BRAFNPC1RAB9AL3MBTL1

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-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG 2013-02-21 US disclosed
US-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG 2013-02-21 US disclosed
US-8163901-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-24 US disclosed
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2011-02-03 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-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 RAF1 1274/4885BRAF 2816/4885RORC 2653/4885
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 RAF1 1274/4885BRAF 2816/4885RORC 2653/4885

“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.