SCHEMBL3274683

SCHEMBL3274683

OB(c1ccc(COCc2ccc(B(O)c3cccs3)cc2)cc1)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
LYPLA1 O75608 1/20 0.34
LYPLA2 O95372 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 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
SCHEMBL2407736 0.86 APP (0.35) KDM4EPOLB
SCHEMBL12266209 0.81 LPL (0.50) KDM4EPOLB
SCHEMBL3322762 0.75 TSHR (0.40) TSHRL3MBTL1KDM4E
SCHEMBL13476017 0.75 ENPP2 (0.50) TSHRL3MBTL1POLB
SCHEMBL2400633 0.74 TRPV6 (0.58) TSHRLYPLA1LYPLA2KDM4EPOLB
SCHEMBL3274847 0.74 RAB9A (0.33) TSHRKDM4E
SCHEMBL526171 0.73 CES2 (0.39) TSHRPOLB
SCHEMBL2399795 0.70 TSHR (0.41) TSHRLYPLA1LYPLA2L3MBTL1KDM4E
SCHEMBL2399139 0.69 ORAI1 (0.64) TSHRLYPLA1LYPLA2
SCHEMBL14503424 0.69 TSHR (0.54) TSHRLYPLA1LYPLA2

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 3 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 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.