SCHEMBL442638

SCHEMBL442638

Cc1ccc(B(OC(=O)c2ncccc2O)c2ccc(C)c(Cl)c2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 3/20 0.39
TLR7 Q9NYK1 2/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
MALT1 Q9UDY8 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
FTO Q9C0B1 1/20 0.34
KMO O15229 2/20 0.34
GRM4 Q14833 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
SPR P35270 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
SCHEMBL29696120 1.00 NPC1 (0.39) NPC1RAB9ATLR7MEN1KMT2A
SCHEMBL447507 0.88 NPC1 (0.38) NPC1RAB9ATLR7MEN1KMT2A
SCHEMBL16152204 0.86 MEN1 (0.40) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1138695 0.84 NPC1 (0.37) NPC1RAB9ATLR7MEN1KMT2A
SCHEMBL444100 0.81 TLR7 (0.42) NPC1RAB9ATLR7MEN1KMT2A
SCHEMBL12270857 0.80 NPC1 (0.53) NPC1RAB9AKMT2AKDM4EGRM4
SCHEMBL447506 0.77 KDM4E (0.42) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL25247534 0.76 TLR7 (0.38) NPC1RAB9ATLR7KMT2AEGLN2
SCHEMBL1138578 0.76 PDK1 (0.35) NPC1RAB9ATLR7MEN1KMT2A
SCHEMBL1138693 0.74 MEN1 (0.39) NPC1RAB9AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2437854-B1 COMPOSITIONS COMPRISING BORINIC ESTERS COLGATE PALMOLIVE CO (US) 2018-08-08 EP claimed
US-8852559-B2 Borinic compositions COLGATE-PALMOLIVE COMPANY (US) 2014-10-07 US claimed
US-20120064017-A1 BORINIC COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2012-03-15 US claimed
US-20120052025-A1 BORINIC COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2012-03-01 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 claimed
US-7652000-B2 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2010-01-26 US claimed
EP-1765360-B1 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS INC (US) 2009-11-11 EP claimed
WO-2009045397-A1 METHODS FOR TREATING POLYCYSTIC KIDNEY DESEASE (PKD) OR OTHER CYST FORMING DISEASES STOWERS INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-09 WO claimed
US-20080269123-A1 Methods for treating polycystic kidney disease (PKD) or other cyst forming diseases STOWERS MEDICAL INSTITUTE INC. 2008-10-30 US claimed
EP-1965647-A2 PROCESS FOR MANUFACTURING PICOLINATE BORINIC ESTERS Anacor Pharmaceuticals, Inc. (US) 2008-09-10 EP claimed
EP-1765360-A2 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES Anacor Pharmaceuticals, Inc. (US) 2007-03-28 EP claimed
EP-1765358-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES Anacor Pharmaceuticals, Inc. (US) 2007-03-28 EP claimed
US-20060217347-A1 Topical formulations of borinic acid antibiotics and their methods of use ANACOR PHARMACEUTICALS, INC. 2006-09-28 US claimed
WO-2006102604-A2 TOPICAL FORMULATIONS OF BORINIC ACID ANTIBODIES AND THEIR METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2006-09-28 WO claimed
WO-2006085932-A2 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2006-08-17 WO claimed
US-20060019927-A1 Anti-viral uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-26 US claimed
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-19 US claimed
US-20060009422-A1 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. 2006-01-12 US claimed
WO-2005123094-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 WO claimed
WO-2005123095-A1 ANTI-PARASITIC USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 WO claimed

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-20060217347-A1 Topical formulations of borinic acid antibiotics and their methods of use CUTA, BROX, BTD NPC1 494/4885RAB9A 2449/4885TLR7 161/4885
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes BPGM, HRH1, HRH3 NPC1 1480/4885RAB9A 2635/4885TLR7 1610/4885
US-20120064017-A1 BORINIC COMPOSITIONS BACH1, FHIT, BPNT1 NPC1 2356/4885RAB9A 2104/4885TLR7 1475/4885
US-20060009422-A1 Boron-containing compounds and methods of use BROX, BTD, PBDC1 NPC1 143/4885RAB9A 2857/4885TLR7 80/4885
US-20120052025-A1 BORINIC COMPOSITIONS CCL11, BDKRB2, BTD NPC1 792/4885RAB9A 2053/4885TLR7 516/4885
US-20060019927-A1 Anti-viral uses of borinic acid complexes SSB, BPGM, HAVCR2 NPC1 1724/4885RAB9A 3638/4885TLR7 440/4885

“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.