SCHEMBL1186935

SCHEMBL1186935

C#CB(O)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ADRB1 P08588 1/20 0.32
TRPA1 O75762 1/20 0.31
ORAI1 Q96D31 2/20 0.31
ORAI2 Q96SN7 2/20 0.31
ORAI3 Q9BRQ5 2/20 0.31
TRPV6 Q9H1D0 1/20 0.31
ENPP2 Q13822 1/20 0.31
POLB P06746 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL29404220 0.75 TSHR (0.47) TSHRLMNAALDH1A1CES2CES1
SCHEMBL4129 0.75 TSHR (0.47) TSHRLMNAALDH1A1CES2CES1
SCHEMBL28117905 0.73 TSHR (0.45) TSHRLMNAALDH1A1CES2CES1
Benzene SCHEMBL28042388 0.73 LMNA (0.45) TSHRLMNAALDH1A1CES2CES1
SCHEMBL14217841 0.71 TSHR (0.43) TSHRLMNAALDH1A1CES2CES1
1,2-Dichlorobenzene SCHEMBL28043924 0.68 TSHR (0.71) TSHRLMNAALDH1A1HTR3EHTR3B
SCHEMBL16104430 0.68 ENPP2 (0.45) TSHRLMNAALDH1A1CES2CES1
SCHEMBL31125058 0.67 ENPP2 (0.39) TSHRLMNAALDH1A1ADRB1ORAI1
SCHEMBL27933411 0.67 TSHR (0.38) TSHRLMNAALDH1A1CES2CES1
SCHEMBL4833079 0.67 ALDH1A1 (0.41) TSHRLMNAALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888356-B2 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2011-02-15 US disclosed
CN-101928295-A Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS INC 2010-12-29 CN 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
EP-1581500-A4 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTICALS INC (US) 2008-03-05 EP disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
WO-2006085932-A2 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2006-08-17 WO disclosed
CN-1738802-A Antibiotics containing boronic acid complexes and methods of use ANACOR PHARMACEUTICALS INC (US) 2006-02-22 CN disclosed
US-20060019927-A1 Anti-viral uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2006007384-A2 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2006-01-19 WO disclosed
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-19 US 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 (6 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 TSHR 3038/4885LMNA 594/4885ALDH1A1 4215/4885
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes BPGM, HRH1, HRH3 TSHR 3633/4885LMNA 928/4885ALDH1A1 2879/4885
US-20080146803-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE BPGM, BROX, TBCA TSHR 3038/4885LMNA 594/4885ALDH1A1 4215/4885
US-20050070503-A1 Antibiotics containing borinic acid complexes and methods of use BPGM, BROX, TBCA TSHR 3038/4885LMNA 594/4885ALDH1A1 4215/4885
US-20060019927-A1 Anti-viral uses of borinic acid complexes SSB, BPGM, HAVCR2 TSHR 4453/4885LMNA 1188/4885ALDH1A1 3836/4885
US-20080293675-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE BPGM, BROX, TBCA TSHR 3038/4885LMNA 594/4885ALDH1A1 4215/4885

“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.