SCHEMBL3274666

SCHEMBL3274666

[CH2]c1cccc(B(O)c2ccc(Cl)c(C)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.38
ORAI2 Q96SN7 3/20 0.38
ORAI3 Q9BRQ5 3/20 0.38
TRPV6 Q9H1D0 3/20 0.38
PCSK9 Q8NBP7 1/20 0.32
TTR P02766 1/20 0.32
S1PR1 P21453 2/20 0.31
MCL1 Q07820 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30

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
SCHEMBL3275709 0.87 ORAI1 (0.38) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL13476000 0.83 ORAI1 (0.41) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL12314712 0.83 TRPV6 (0.57) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL14135249 0.78 S1PR1 (0.40) ORAI1ORAI2ORAI3TRPV6S1PR1
SCHEMBL17698485 0.76 ORAI1 (0.33) ORAI1ORAI2ORAI3TRPV6
SCHEMBL3275789 0.75 TRPV6 (0.61) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL12314713 0.75 MRGPRX4 (0.42) ORAI1ORAI2ORAI3TRPV6S1PR1
SCHEMBL177405 0.73 TTR (0.50) TTRMCL1
SCHEMBL29427126 0.73 TTR (0.50) TTRMCL1
SCHEMBL17698482 0.71 ORAI1 (0.42) ORAI1ORAI2ORAI3TRPV6PCSK9

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
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP claimed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US claimed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP claimed
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP disclosed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US disclosed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP 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-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 ORAI1 58/4885ORAI2 414/4885ORAI3 588/4885

“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.