SCHEMBL1138515

SCHEMBL1138515

COc1ccc(Cl)cc1B(OOC(=O)c1ncccc1O)c1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
POLB P06746 3/20 0.36
TLR7 Q9NYK1 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RBP4 P02753 3/20 0.35
IGF1R P08069 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.32
KCNMA1 Q12791 1/20 0.32

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
SCHEMBL1138512 0.79 ALDH1A1 (0.37) NPC1POLBKDM4EALDH1A1CYP1A2
SCHEMBL1138596 0.77 TLR7 (0.41) NPC1TLR7KDM4EALDH1A1CYP1A2
SCHEMBL447507 0.75 NPC1 (0.38) NPC1TLR7KDM4EMEN1KMT2A
SCHEMBL1138695 0.71 NPC1 (0.37) NPC1TLR7KDM4EALDH1A1MEN1
SCHEMBL1186978 0.69 MCHR1 (0.34) KDM4EALDH1A1MAPK1TDP1HPGD
SCHEMBL444100 0.68 TLR7 (0.42) NPC1TLR7KDM4EALDH1A1CYP1A2
SCHEMBL1138398 0.67 ABL1 (0.38) KDM4E
SCHEMBL1138741 0.67 ORAI1 (0.43) ALDH1A1MEN1KMT2AMAPT
SCHEMBL3179164 0.67 HRH3 (0.46) NPC1POLBTLR7KDM4EALDH1A1
SCHEMBL9693386 0.66 MMP1 (0.51) POLBTLR7KDM4EMEN1KMT2A

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
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-7652000-B2 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2010-01-26 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

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-20060009422-A1 Boron-containing compounds and methods of use BROX, BTD, PBDC1 NPC1 143/4885POLB 1183/4885TLR7 80/4885

“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.