SCHEMBL5166435

SCHEMBL5166435

Cc1ccc(B(O)c2ccccc2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 5/20 0.57
ORAI1 Q96D31 4/20 0.57
ORAI2 Q96SN7 4/20 0.57
ORAI3 Q9BRQ5 4/20 0.57
PCSK9 Q8NBP7 1/20 0.52
CYP3A4 P08684 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
AGTR1 P30556 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL1138689 0.90 CYP3A4 (0.46) TRPV6ORAI1ORAI2ORAI3CYP3A4
SCHEMBL12270711 0.87 ORAI1 (0.61) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL13476001 0.86 ORAI1 (0.41) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL12314712 0.85 TRPV6 (0.57) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1138415 0.85 ORAI1 (0.43) TRPV6ORAI1ORAI2ORAI3CYP3A4
SCHEMBL17698482 0.84 ORAI1 (0.42) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL14503411 0.83 TSHR (0.42) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL3275709 0.83 ORAI1 (0.38) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2404895 0.82 ORAI1 (0.41) TRPV6ORAI1ORAI2ORAI3CYP3A4
SCHEMBL12270552 0.81 S1PR1 (0.40) TRPV6ORAI1ORAI2ORAI3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
WO-2010018837-A2 PROTEIN CROSS-LINKING INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 WO disclosed
WO-2010018836-A2 POLYGLUTAMINE AGGREGATION INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 WO disclosed
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 (2 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 TRPV6 4868/4885ORAI1 4605/4885ORAI2 3906/4885
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes BPGM, HRH1, HRH3 TRPV6 998/4885ORAI1 268/4885ORAI2 367/4885

“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.