SCHEMBL5164042

SCHEMBL5164042

N#Cc1ccc(B(O)c2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.67
ORAI2 Q96SN7 3/20 0.67
ORAI3 Q9BRQ5 3/20 0.67
TRPV6 Q9H1D0 3/20 0.67
ENPP2 Q13822 2/20 0.59
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA2 P00918 3/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PTGS1 P23219 1/20 0.42
CA1 P00915 2/20 0.41
NSD2 O96028 2/20 0.41
MMP3 P08254 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2405727 0.89 ENPP2 (0.73) ORAI1ORAI2ORAI3TRPV6ENPP2
SCHEMBL1138626 0.82 ENPP2 (0.53) ORAI1ORAI2ORAI3TRPV6ENPP2
SCHEMBL12444126 0.82
Water SCHEMBL28049243 0.82 KDM4E (0.64) ENPP2KDM4ETP53MAOAMAOB
SCHEMBL39936 0.82
SCHEMBL1003006 0.82 TRPV6 (1.00) ORAI1ORAI2ORAI3TRPV6ENPP2
SCHEMBL7375936 0.79 KDM4E (0.61) ENPP2KDM4ETP53MAOAMAOB
SCHEMBL28783861 0.79 KDM4E (0.61) ENPP2KDM4ETP53MAOAMAOB
Hydrochloric Acid SCHEMBL30942103 0.79 KDM4E (0.61) ENPP2KDM4ETP53MAOAMAOB
SCHEMBL28251780 0.79 KDM4E (0.61) ENPP2KDM4ETP53MAOAMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771182-A1 ANTI-PARASITIC USES OF BORINIC ACID COMPLEXES Anacor Pharmaceuticals, Inc. (US) 2007-04-11 EP 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

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-20060014723-A1 Anti-parasitic uses of borinic acid complexes BPGM, HRH1, HRH3 ORAI1 268/4885ORAI2 367/4885ORAI3 442/4885

“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.