SCHEMBL2399795

SCHEMBL2399795

OB(c1ccc(COCc2ccc(B(O)c3ccccc3F)cc2)cc1)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
LYPLA1 O75608 1/20 0.37
LYPLA2 O95372 1/20 0.37
LIPE Q05469 1/20 0.37
TRPV6 Q9H1D0 4/20 0.35
ORAI1 Q96D31 4/20 0.35
ORAI2 Q96SN7 4/20 0.35
ORAI3 Q9BRQ5 4/20 0.35
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
MAOB P27338 2/20 0.31
IDO1 P14902 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL2400633 0.78 TRPV6 (0.58) TSHRLYPLA1LYPLA2LIPETRPV6
SCHEMBL2407168 0.78 TRPV6 (0.44) TSHRLYPLA1LYPLA2LIPETRPV6
SCHEMBL2398463 0.78 TSHR (0.38) TSHRLYPLA1LYPLA2LIPEMEN1
SCHEMBL3274031 0.75 TRPV6 (0.41) TSHRLYPLA1LYPLA2TRPV6ORAI1
SCHEMBL2399046 0.75 ORAI1 (0.41) TSHRLYPLA1LYPLA2TRPV6ORAI1
SCHEMBL14503424 0.72 TSHR (0.54) TSHRLYPLA1LYPLA2TRPV6ORAI1
SCHEMBL29957976 0.72 TSHR (0.48) TSHRLYPLA1LYPLA2LIPEMAOB
SCHEMBL14503428 0.71 TSHR (0.52) TSHRLYPLA1LYPLA2TRPV6ORAI1
SCHEMBL16151496 0.71 TRPV6 (0.55) TSHRLYPLA1LYPLA2TRPV6ORAI1
SCHEMBL14503413 0.71 ORAI1 (0.63) TSHRLYPLA1LYPLA2TRPV6ORAI1

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 8 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-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 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 (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-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 TSHR 977/4885LYPLA1 4548/4885LYPLA2 4342/4885

“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.