SCHEMBL1138569

SCHEMBL1138569

N#Cc1ccccc1B(O)OCCO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.35
GAA P10253 3/20 0.35
AR P10275 1/20 0.35
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.32
TP53 P04637 1/20 0.32
NLRP3 Q96P20 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL28813910 0.91 GAA (0.37) ESR2GAATSHRALDH1A1KDM4E
SCHEMBL9894281 0.90 GAA (0.33) ESR2GAAARTSHRALDH1A1
SCHEMBL840396 0.88 GAA (0.36) ESR2GAATSHRALDH1A1KDM4E
SCHEMBL18411232 0.81 GAA (0.43) GAATSHRALDH1A1KDM4EHPGD
SCHEMBL28213045 0.75 TSHR (0.38) ESR2GAATSHRKDM4E
SCHEMBL28043669 0.75 TSHR (0.38) ESR2GAATSHRALDH1A1KDM4E
SCHEMBL841741 0.75 ESR2 (0.32) ESR2TSHR
SCHEMBL28573262 0.75 AR (0.33) GAAARTSHRALDH1A1KDM4E
SCHEMBL1760270 0.74 ALDH1A1 (0.38) GAATSHRALDH1A1KDM4EHPGD
SCHEMBL5166207 0.74 ALDH1A1 (0.35) ALDH1A1RECQL

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 5 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 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 ESR2 436/4885GAA 1146/4885AR 899/4885

“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.