SCHEMBL3781044

SCHEMBL3781044

OCc1cc(CO)cc(B(O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.60
ACHE P22303 1/20 0.43
LPL P06858 5/20 0.37
LIPG Q9Y5X9 5/20 0.37
F11 P03951 1/20 0.36
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP6 P55212 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL31062311 0.84 ENPP2 (0.50) ENPP2ACHELPLLIPGF11
SCHEMBL16687395 0.84 ENPP2 (0.50) ENPP2ACHELPLLIPGF11
SCHEMBL3784998 0.84 ENPP2 (0.50) ENPP2ACHELPLLIPGF11
SCHEMBL16021767 0.84 ENPP2 (0.50) ENPP2ACHELPLLIPGF11
SCHEMBL28989623 0.84 ENPP2 (0.50) ENPP2ACHELPLLIPGF11
SCHEMBL23199573 0.84 ENPP2 (0.50) ENPP2ACHELPLLIPGF11
SCHEMBL18586306 0.79 MGLL (0.48) ENPP2ACHE
SCHEMBL14186117 0.79 ENPP2 (0.46) ENPP2ACHEKDM4E
SCHEMBL63159 0.78 ACHE (0.62) ENPP2ACHECA4CA6CA5A
SCHEMBL30786359 0.76 ENPP2 (0.43) ENPP2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ENPP2 1920/4885ACHE 295/4885LPL 3816/4885

“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.