SCHEMBL2398867

SCHEMBL2398867

Cc1ccc(B(O)c2cccc(COCc3cccc(B(O)c4ccc(C)c(Cl)c4)c3)c2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.39
MAPT P10636 1/20 0.36
MRGPRX4 Q96LA9 7/20 0.36
S1PR1 P21453 1/20 0.36
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
LPL P06858 2/20 0.34
LIPG Q9Y5X9 2/20 0.34
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL2406696 0.96 ENPP2 (0.36) ENPP2MAPTMRGPRX4S1PR1ORAI1
SCHEMBL14503411 0.87 TSHR (0.42) ENPP2MAPTORAI1ORAI2ORAI3
SCHEMBL3275771 0.87 ORAI1 (0.37) ENPP2MAPTORAI1ORAI2ORAI3
SCHEMBL12266170 0.85 S1PR1 (0.40) ENPP2MAPTS1PR1ORAI1ORAI2
SCHEMBL2400583 0.81 ENPP2 (0.38) ENPP2MRGPRX4S1PR1ORAI1ORAI2
SCHEMBL1138689 0.79 CYP3A4 (0.46) ENPP2MAPTORAI1ORAI2ORAI3
SCHEMBL12314713 0.79 MRGPRX4 (0.42) ENPP2MRGPRX4S1PR1ORAI1ORAI2
SCHEMBL13476001 0.79 ORAI1 (0.41) MAPTS1PR1ORAI1ORAI2ORAI3
SCHEMBL14503425 0.78 ORAI1 (0.59) ENPP2MRGPRX4ORAI1ORAI2ORAI3
SCHEMBL5166435 0.78 TRPV6 (0.57) ENPP2MAPTORAI1ORAI2ORAI3

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-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-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 ENPP2 3251/4885MAPT 3240/4885MRGPRX4 2377/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 ENPP2 3574/4885MAPT 2725/4885MRGPRX4 1630/4885

“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.