SCHEMBL13764449

SCHEMBL13764449

CC(C)(C)OC(=O)Nc1ccc(OCCOCCOCCN=[N+]=[N-])cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.45
EGFR P00533 2/20 0.43
FAAH O00519 7/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC2 Q92769 1/20 0.41
CYP17A1 P05093 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
PTPN11 Q06124 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
SCHEMBL15849827 1.00 HDAC8 (0.45) HDAC8EGFRFAAHABCG2MEN1
SCHEMBL13820229 1.00 HDAC8 (0.45) HDAC8EGFRFAAHABCG2MEN1
SCHEMBL13827424 0.93 HDAC8 (0.48) HDAC8FAAHHDAC2CYP17A1
SCHEMBL18069670 0.84 ABCG2 (0.41) HDAC8ABCG2KMT2ALMNA
SCHEMBL21100864 0.84 FAAH (0.44) FAAHABCG2
SCHEMBL17919158 0.84 FAAH (0.44) FAAHABCG2
SCHEMBL26079041 0.84 HDAC8 (0.46) HDAC8FAAHCYP17A1PTPN11
SCHEMBL22006732 0.83 APP (0.52) FAAHMEN1KMT2ACYP17A1LMNA
SCHEMBL15731128 0.83 APP (0.52) FAAHMEN1KMT2ACYP17A1LMNA
SCHEMBL24220444 0.82 CA12 (0.46) FAAHMEN1KMT2ACYP17A1LMNA

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
EP-2823826-A2 Inhibitors of carbonic anhydrase IX Molecular Insight Pharmaceuticals, Inc. (US) 2015-01-14 EP disclosed
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
WO-2009089383-A2 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2009-07-16 WO disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 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-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 HDAC8 83/4885EGFR 1119/4885FAAH 1197/4885

“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.