SCHEMBL1138696

SCHEMBL1138696

C=CB(O)c1ccc(N(C)C)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.36
PTGS2 P35354 5/20 0.33
PTGS1 P23219 4/20 0.33
FSCN1 Q16658 1/20 0.33
APP P05067 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6726431 0.80 TTR (0.50) TTRPTGS2PTGS1FSCN1GAA
SCHEMBL1187173 0.66 TSHR (0.40) TTRKMT2A
SCHEMBL2616324 0.65 GAA (0.59) PTGS2PTGS1FSCN1GAAKMT2A
SCHEMBL10473336 0.65 GAA (0.38) PTGS2PTGS1FSCN1APPGAA
SCHEMBL12483803 0.64 KMT2A (0.42) PTGS2PTGS1FSCN1GAAKMT2A
SCHEMBL3789309 0.64 ALDH1A1 (0.46) PTGS2PTGS1FSCN1APPGAA
SCHEMBL5162210 0.63 DOT1L (0.31)
SCHEMBL6726449 0.62 ALDH1A1 (0.44) PTGS2PTGS1FSCN1GAAKMT2A
SCHEMBL29793551 0.62 CYP3A4 (0.52) PTGS2PTGS1GAAKMT2A
SCHEMBL2284135 0.62 CYP3A4 (0.52) PTGS2PTGS1GAAKMT2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765358-B1 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS INC (US) 2011-02-23 EP disclosed
US-7888356-B2 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2011-02-15 US disclosed
US-7652000-B2 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
EP-1765360-B1 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS INC (US) 2009-11-11 EP disclosed
EP-2044091-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE Anacor Pharmaceuticals, Inc. (US) 2009-04-08 EP disclosed
US-20080293675-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTCALS INC. (US) 2008-11-27 US disclosed
EP-1980564-A1 Antibiotics containing borinic acid complexes and methods of use Anacor Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
US-7393856-B2 Anti-viral uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. (US) 2008-07-01 US disclosed
US-7390806-B2 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2008-06-24 US disclosed
US-20080146803-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. 2008-06-19 US disclosed
WO-2006085932-A2 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2006-08-17 WO disclosed
US-20060019927-A1 Anti-viral uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-26 US disclosed
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-19 US disclosed
US-20060009422-A1 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. 2006-01-12 US disclosed
WO-2005123094-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 WO disclosed
WO-2005123095-A1 ANTI-PARASITIC USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 WO disclosed
EP-1581500-A2 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2005-10-05 EP disclosed
US-20050070503-A1 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. 2005-03-31 US disclosed
US-20040224923-A1 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. 2004-11-11 US disclosed
WO-2004056322-A2 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2004-07-08 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 (7 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-20040224923-A1 Antibiotics containing borinic acid complexes and methods of use BPGM, BROX, TBCA TTR 3280/4885PTGS2 3257/4885PTGS1 2047/4885
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes BPGM, HRH1, HRH3 TTR 2777/4885PTGS2 705/4885PTGS1 464/4885
US-20060009422-A1 Boron-containing compounds and methods of use BROX, BTD, PBDC1 TTR 1458/4885PTGS2 3400/4885PTGS1 2333/4885
US-20080146803-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE BPGM, BROX, TBCA TTR 3280/4885PTGS2 3257/4885PTGS1 2047/4885
US-20050070503-A1 Antibiotics containing borinic acid complexes and methods of use BPGM, BROX, TBCA TTR 3280/4885PTGS2 3257/4885PTGS1 2047/4885
US-20060019927-A1 Anti-viral uses of borinic acid complexes SSB, BPGM, HAVCR2 TTR 1258/4885PTGS2 2197/4885PTGS1 1516/4885
US-20080293675-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE BPGM, BROX, TBCA TTR 3280/4885PTGS2 3257/4885PTGS1 2047/4885

“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.