SCHEMBL1138596

SCHEMBL1138596

Cc1cc(Cl)ccc1B(OOC(=O)c1ncccc1O)c1ccc(Cl)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.41
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
NPC1 O15118 2/20 0.36
GRM5 P41594 1/20 0.35
GRM4 Q14833 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP11B2 P19099 1/20 0.33
AVPR1A P37288 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 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
SCHEMBL444100 0.88 TLR7 (0.42) TLR7ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL447507 0.81 NPC1 (0.38) TLR7RAB9AKDM4ELMNANPC1
SCHEMBL1138695 0.78 NPC1 (0.37) TLR7ALDH1A1RAB9AKDM4ELMNA
SCHEMBL1138515 0.77 NPC1 (0.36) TLR7ALDH1A1RAB9AHPGDKDM4E
SCHEMBL1138595 0.74 MRGPRX4 (0.40) ALDH1A1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL1138578 0.72 PDK1 (0.35) TLR7RAB9AKDM4ELMNANPC1
SCHEMBL442638 0.71 NPC1 (0.39) TLR7RAB9AKDM4ELMNAPDE4B
SCHEMBL29696120 0.71 NPC1 (0.39) TLR7RAB9AKDM4ELMNAPDE4B
SCHEMBL1138636 0.70 KDM4E (0.43) ALDH1A1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL3179164 0.70 HRH3 (0.46) TLR7ALDH1A1RAB9ASMN1; SMN2KDM4E

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 14 patents. 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 claimed
US-7652000-B2 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2010-01-26 US claimed
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-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
US-7390806-B2 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2008-06-24 US disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
EP-1765358-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES Anacor Pharmaceuticals, Inc. (US) 2007-03-28 EP 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
US-20050070503-A1 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. 2005-03-31 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 (4 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-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 TLR7 2233/4885ALDH1A1 2013/4885RAB9A 3321/4885
US-20060009422-A1 Boron-containing compounds and methods of use BROX, BTD, PBDC1 TLR7 80/4885ALDH1A1 3239/4885RAB9A 2857/4885
US-20050070503-A1 Antibiotics containing borinic acid complexes and methods of use BPGM, BROX, TBCA TLR7 144/4885ALDH1A1 4215/4885RAB9A 2198/4885
US-20080293675-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE BPGM, BROX, TBCA TLR7 144/4885ALDH1A1 4215/4885RAB9A 2198/4885

“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.