SCHEMBL2407138

SCHEMBL2407138

OB(c1ccc(COCc2cccc(B(O)c3cc(F)c(F)c(F)c3)c2)cc1)c1cc(F)c(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.35
TSHR P16473 1/20 0.34
TRPV6 Q9H1D0 4/20 0.33
ORAI1 Q96D31 3/20 0.33
ORAI2 Q96SN7 3/20 0.33
ORAI3 Q9BRQ5 3/20 0.33
LYPLA1 O75608 1/20 0.33
LYPLA2 O95372 1/20 0.33
PCSK9 Q8NBP7 1/20 0.32
IDO1 P14902 2/20 0.31
AGXT P21549 2/20 0.31
MAOB P27338 2/20 0.31
LPL P06858 2/20 0.31
LIPG Q9Y5X9 2/20 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
SCHEMBL3274031 0.90 TRPV6 (0.41) TSHRTRPV6ORAI1ORAI2ORAI3
SCHEMBL2399166 0.85 TSHR (0.50) ENPP2TSHRTRPV6ORAI1ORAI2
SCHEMBL2399007 0.84 TRPV6 (0.52) ENPP2TSHRTRPV6ORAI1ORAI2
SCHEMBL2399046 0.81 ORAI1 (0.41) TSHRTRPV6ORAI1ORAI2ORAI3
SCHEMBL3282237 0.80 TRPV6 (0.52) ENPP2TSHRTRPV6ORAI1ORAI2
SCHEMBL14135196 0.78 LPL (0.41) ENPP2TRPV6ORAI1ORAI2ORAI3
SCHEMBL14503425 0.77 ORAI1 (0.59) ENPP2TSHRTRPV6ORAI1ORAI2
SCHEMBL2398396 0.77 ENPP2 (0.47) ENPP2IDO1AGXTMAOB
SCHEMBL2400576 0.76 ENPP2 (0.32) ENPP2TRPV6ORAI1ORAI2ORAI3
SCHEMBL2406696 0.76 ENPP2 (0.36) ENPP2TSHRTRPV6ORAI1ORAI2

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 12 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-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

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 ENPP2 3251/4885TSHR 2155/4885TRPV6 4868/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 ENPP2 3574/4885TSHR 977/4885TRPV6 61/4885

“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.