SCHEMBL2400587

SCHEMBL2400587

OB(c1ccccc1)C(OC(B(O)c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.42
ORAI2 Q96SN7 3/20 0.42
ORAI3 Q9BRQ5 3/20 0.42
TRPV6 Q9H1D0 3/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
ENPP2 Q13822 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
PCSK9 Q8NBP7 1/20 0.42
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MGLL Q99685 2/20 0.33
CYP2D6 P10635 1/20 0.33
SRC P12931 1/20 0.33
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL2405995 0.94 ORAI1 (0.38) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL2399738 0.88 ENPP2 (0.48) CA4ENPP2CA1CA2KMT2A
SCHEMBL2404588 0.82 TRPV6 (0.54) ORAI1ORAI2ORAI3TRPV6MGLL
SCHEMBL2397027 0.79 HTT (0.35) ORAI1ORAI2ORAI3TRPV6CA1
SCHEMBL2398516 0.75 ALDH1A1 (0.39) KMT2ALMNAMAPK1
SCHEMBL2407494 0.75 ALDH1A1 (0.35) ORAI1ORAI2ORAI3TRPV6KMT2A
SCHEMBL2398413 0.75 ALDH1A1 (0.39) KMT2ALMNAMAPK1
SCHEMBL2405593 0.72 LMNA (0.38) LMNA
SCHEMBL23535580 0.68 KMT2A (0.43) ENPP2KMT2ALMNA
SCHEMBL13476048 0.67 TRPV6 (0.50) ORAI1ORAI2ORAI3TRPV6CA4

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 10 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-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US 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-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US 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 (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 ORAI1 4605/4885ORAI2 3906/4885ORAI3 4036/4885
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.