SCHEMBL1138541

SCHEMBL1138541

CN(C)c1ccc(B(O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.57
ORAI2 Q96SN7 3/20 0.57
ORAI3 Q9BRQ5 3/20 0.57
TRPV6 Q9H1D0 3/20 0.57
ALDH1A1 P00352 8/20 0.50
ALOX15 P16050 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.50
ENPP2 Q13822 1/20 0.48
TSHR P16473 3/20 0.46
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC2A1 P11166 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL31116653 0.82 ALDH1A1 (0.69) ALDH1A1ALOX15TDP1HSD17B10KDM4E
SCHEMBL59751 0.82 ALDH1A1 (0.69) ALDH1A1ALOX15TDP1HSD17B10KDM4E
SCHEMBL1138482 0.82 TRPV6 (0.80) ORAI1ORAI2ORAI3TRPV6ALOX15
Hydrochloric Acid SCHEMBL2876035 0.79 ALDH1A1 (0.65) ALDH1A1ALOX15TDP1HSD17B10KDM4E
SCHEMBL8162988 0.79 ALDH1A1 (0.65) ALDH1A1ALOX15TDP1HSD17B10KDM4E
SCHEMBL239719 0.75 ENPP2 (0.67) ORAI1ORAI2ORAI3TRPV6ALDH1A1
SCHEMBL9369 0.75 ALDH1A1 (0.58) ALDH1A1ALOX15TDP1HSD17B10HPGD
SCHEMBL1138364 0.73 ALDH1A1 (0.55) ALDH1A1ALOX15TDP1HSD17B10HPGD
Hydrochloric Acid SCHEMBL18641492 0.73 TSHR (0.55) ALDH1A1ALOX15TDP1HSD17B10HPGD
SCHEMBL4833078 0.71 TRPV6 (0.76) ORAI1ORAI2ORAI3TRPV6ALDH1A1

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 ORAI1 2751/4885ORAI2 3905/4885ORAI3 3639/4885

“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.