SCHEMBL2398673

SCHEMBL2398673

OB(c1ccccc1)c1ccccc1Oc1ccccc1B(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 5/20 0.54
ORAI2 Q96SN7 5/20 0.54
ORAI3 Q9BRQ5 5/20 0.54
TRPV6 Q9H1D0 5/20 0.54
PCSK9 Q8NBP7 2/20 0.54
ENPP2 Q13822 2/20 0.43
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
LIPE Q05469 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MGLL Q99685 2/20 0.33
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL24664748 0.98 ORAI1 (0.52) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL2405808 0.81 TRPV6 (0.72) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL2398254 0.79 ORAI1 (0.47) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL2398943 0.75 ORAI1 (0.59) ORAI1ORAI2ORAI3ENPP2LIPE
SCHEMBL2408532 0.75 TRPV6 (0.62) ORAI1ORAI2ORAI3TRPV6PCSK9
Diphenyl Borinic Acid SCHEMBL40601 0.72 TRPV6 (1.00) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL2398444 0.72 ORAI1 (0.50) ORAI1ORAI2ORAI3ENPP2GAA
SCHEMBL2408066 0.71 TRPV6 (0.56) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL2873931 0.71 TRPV6 (0.56) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL2412647 0.70 TRPV6 (0.93) 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 9 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-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.