SCHEMBL2405908

SCHEMBL2405908

OB(c1ccccc1)c1cccc(COCc2ccccc2B(O)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 3/20 0.40
ORAI1 Q96D31 2/20 0.40
ORAI2 Q96SN7 2/20 0.40
ORAI3 Q9BRQ5 2/20 0.40
PCSK9 Q8NBP7 1/20 0.40
TSHR P16473 2/20 0.39
ENPP2 Q13822 4/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
LIPE Q05469 1/20 0.36
TACR1 P25103 1/20 0.33
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 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
SCHEMBL3282237 0.88 TRPV6 (0.52) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2407168 0.87 TRPV6 (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2400530 0.86 TRPV6 (0.48) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2400583 0.84 ENPP2 (0.38) TRPV6ORAI1ORAI2ORAI3ENPP2
SCHEMBL2399166 0.83 TSHR (0.50) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2398329 0.78 MRGPRX4 (0.38) TSHRENPP2MRGPRX4LIPETACR1
SCHEMBL14503425 0.78 ORAI1 (0.59) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL12314403 0.77 ORAI1 (0.42) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2399007 0.76 TRPV6 (0.52) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2408016 0.76 TRPV6 (0.41) 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 5 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.