SCHEMBL2399007

SCHEMBL2399007

OB(c1ccc(F)cc1)c1cccc(COCc2cccc(B(O)c3ccc(F)cc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.52
ORAI1 Q96D31 3/20 0.52
ORAI2 Q96SN7 3/20 0.52
ORAI3 Q9BRQ5 3/20 0.52
AGXT P21549 3/20 0.41
ENPP2 Q13822 5/20 0.40
IDO1 P14902 2/20 0.39
AR P10275 1/20 0.37
PCSK9 Q8NBP7 1/20 0.36
TSHR P16473 1/20 0.35
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33

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 0.86 TRPV6 (0.52) TRPV6ORAI1ORAI2ORAI3AGXT
SCHEMBL2399166 0.85 TSHR (0.50) TRPV6ORAI1ORAI2ORAI3ENPP2
SCHEMBL2407138 0.84 ENPP2 (0.35) TRPV6ORAI1ORAI2ORAI3AGXT
SCHEMBL2398396 0.83 ENPP2 (0.47) AGXTENPP2IDO1MRGPRX4
SCHEMBL14503425 0.80 ORAI1 (0.59) TRPV6ORAI1ORAI2ORAI3ENPP2
SCHEMBL2397894 0.80 ENPP2 (0.43) ENPP2MRGPRX4
SCHEMBL2398867 0.76 ENPP2 (0.39) TRPV6ORAI1ORAI2ORAI3ENPP2
SCHEMBL2405908 0.76 TRPV6 (0.40) TRPV6ORAI1ORAI2ORAI3AGXT
SCHEMBL12313933 0.76 TRPV6 (0.46) TRPV6ORAI1ORAI2ORAI3ENPP2
SCHEMBL2406696 0.76 ENPP2 (0.36) TRPV6ORAI1ORAI2ORAI3ENPP2

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 16 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-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
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 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.