SCHEMBL2408016

SCHEMBL2408016

OB(c1ccccc1)c1ccccc1CCOCc1ccccc1B(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 3/20 0.41
ORAI1 Q96D31 3/20 0.41
ORAI2 Q96SN7 3/20 0.41
ORAI3 Q9BRQ5 3/20 0.41
PCSK9 Q8NBP7 1/20 0.41
LIPG Q9Y5X9 1/20 0.37
LIPE Q05469 1/20 0.33
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
ENPP2 Q13822 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 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
SCHEMBL2400530 0.88 TRPV6 (0.48) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL12314403 0.82 ORAI1 (0.42) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2407168 0.79 TRPV6 (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL341836 0.76 TAAR1 (0.47) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2405908 0.76 TRPV6 (0.40) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2553993 0.75 LIPE (0.47) LIPGLIPEENPP2
SCHEMBL12266247 0.75 HPGD (0.57) TRPV6ORAI1ORAI2ORAI3
SCHEMBL2408018 0.74 PCSK9 (0.34) TRPV6ORAI1ORAI2ORAI3PCSK9
Methyl Alcohol SCHEMBL27541809 0.73 TAAR1 (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1469675 0.72 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3PCSK9

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
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-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-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
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

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-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 TRPV6 61/4885ORAI1 58/4885ORAI2 414/4885

“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.