SCHEMBL2399166

SCHEMBL2399166

OB(c1ccccc1)c1ccc(COCc2cccc(B(O)c3ccccc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
TRPV6 Q9H1D0 3/20 0.47
ORAI1 Q96D31 2/20 0.47
ORAI2 Q96SN7 2/20 0.47
ORAI3 Q9BRQ5 2/20 0.47
PCSK9 Q8NBP7 1/20 0.47
LYPLA1 O75608 1/20 0.43
LYPLA2 O95372 1/20 0.43
ENPP2 Q13822 3/20 0.41
DAO P14920 1/20 0.37
HTR2B P41595 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
LIPE Q05469 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 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
SCHEMBL3282237 0.95 TRPV6 (0.52) TSHRTRPV6ORAI1ORAI2ORAI3
SCHEMBL14503425 0.91 ORAI1 (0.59) TSHRTRPV6ORAI1ORAI2ORAI3
SCHEMBL2400633 0.89 TRPV6 (0.58) TSHRTRPV6ORAI1ORAI2ORAI3
SCHEMBL2399007 0.85 TRPV6 (0.52) TSHRTRPV6ORAI1ORAI2ORAI3
SCHEMBL2407138 0.85 ENPP2 (0.35) TSHRTRPV6ORAI1ORAI2ORAI3
SCHEMBL2398396 0.84 ENPP2 (0.47) ENPP2CA1CA2KDM4E
SCHEMBL2405908 0.83 TRPV6 (0.40) TSHRTRPV6ORAI1ORAI2ORAI3
SCHEMBL2406696 0.83 ENPP2 (0.36) TSHRTRPV6ORAI1ORAI2ORAI3
SCHEMBL14503424 0.83 TSHR (0.54) TSHRTRPV6ORAI1ORAI2ORAI3
SCHEMBL2397894 0.81 ENPP2 (0.43) ENPP2CA2CA9

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-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-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-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-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

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 TSHR 2155/4885TRPV6 4868/4885ORAI1 4605/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 TSHR 977/4885TRPV6 61/4885ORAI1 58/4885

“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.