SCHEMBL2399014

SCHEMBL2399014

OB(c1ccccc1C(F)(F)F)c1c2ccccc2c(B(O)c2ccccc2C(F)(F)F)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KIF11 P52732 1/20 0.37
TRPV6 Q9H1D0 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ORAI1 Q96D31 2/20 0.34
ORAI2 Q96SN7 2/20 0.34
ORAI3 Q9BRQ5 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NFKB1 P19838 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
CNR2 P34972 1/20 0.33
BACE1 P56817 1/20 0.33
PSMB5 P28074 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
SCHEMBL2408381 0.86 TRPV6 (0.42) ALDH1A1POLBTDP1L3MBTL1TRPV6
SCHEMBL29410834 0.77 ENPP2 (0.41) ALDH1A1POLBTDP1L3MBTL1TRPV6
SCHEMBL4288 0.77 ENPP2 (0.41) ALDH1A1POLBTDP1L3MBTL1TRPV6
SCHEMBL813858 0.72 ALDH1A1 (0.41) ALDH1A1POLBTDP1L3MBTL1KIF11
SCHEMBL31606418 0.72 ALDH1A1 (0.41) ALDH1A1POLBTDP1L3MBTL1KIF11
SCHEMBL28204350 0.71 IDO1 (0.36) ALDH1A1POLBTDP1L3MBTL1TRPV6
SCHEMBL29957517 0.71 AXL (0.38) ALDH1A1POLBKIF11MEN1KMT2A
SCHEMBL1493142 0.70 ALDH1A1 (0.40) ALDH1A1POLBTDP1L3MBTL1KIF11
SCHEMBL28043678 0.69 MEN1 (0.36) ALDH1A1POLBTDP1L3MBTL1TRPV6
SCHEMBL12266260 0.69 TRPV6 (0.69) ALDH1A1KIF11TRPV6ORAI1ORAI2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 4540/4885POLB 1280/4885TDP1 1492/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 ALDH1A1 4802/4885POLB 3347/4885TDP1 4837/4885

“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.