SCHEMBL2398463

SCHEMBL2398463

OB(c1ccc(COCc2ccc(B(O)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
LYPLA1 O75608 1/20 0.35
LYPLA2 O95372 1/20 0.35
LIPE Q05469 1/20 0.35
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 1/20 0.34
HSP90AB1 P08238 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
FFAR1 O14842 1/20 0.33
AKR1B1 P15121 1/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.32
NR1D1 P20393 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
XBP1 P17861 1/20 0.32
RAB9A P51151 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
SCHEMBL2398329 0.85 MRGPRX4 (0.38) TSHRMAPTLIPEKMT2AHSD17B10
SCHEMBL12266163 0.83 LPL (0.47) TSHRGAAMAPTKMT2AHSD17B10
SCHEMBL13383567 0.82 CYP1A2 (0.42) TSHRALDH1A1GAAMAPTKMT2A
SCHEMBL7177934 0.79 TRPV6 (0.52) TSHRALDH1A1HSD17B10TDP1ATM
SCHEMBL2399795 0.78 TSHR (0.41) TSHRGAALYPLA1LYPLA2LIPE
SCHEMBL10269557 0.77 FFAR1 (0.43) KMT2AHSP90AB1TDP1FFAR1AKR1B1
SCHEMBL12266366 0.77 ORAI1 (0.52) TSHRALDH1A1KMT2ACYP1A2MEN1
SCHEMBL2400633 0.76 TRPV6 (0.58) TSHRLYPLA1LYPLA2LIPE
SCHEMBL5571942 0.75 CYP1A2 (0.48) TSHRALDH1A1GAAHSD17B10TDP1
SCHEMBL2407168 0.75 TRPV6 (0.44) TSHRALDH1A1MAPTLYPLA1LYPLA2

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 977/4885ALDH1A1 4802/4885GAA 4588/4885

“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.