SCHEMBL3785854

SCHEMBL3785854

Nc1cc(CO)ccc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.44
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A3 Q01959 2/20 0.39
HSD17B10 Q99714 1/20 0.37
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
GAA P10253 3/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
F11 P03951 1/20 0.33
FYN P06241 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3780654 0.83 LPL (0.48) SLC6A2SLC6A4HSD17B10LPLLIPG
SCHEMBL10134729 0.83 F11 (0.47) ENPP2LPLLIPGGAANOS3
SCHEMBL3786642 0.83 ENPP2 (0.44) ENPP2SLC6A2SLC6A4SLC6A3HSD17B10
SCHEMBL25381438 0.82 GAA (0.33) SLC6A2SLC6A4SLC6A3LPLLIPG
SCHEMBL2560402 0.79 GABRA1 (0.46) SLC6A2SLC6A3HSD17B10KDM4EMEN1
SCHEMBL27207991 0.77 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HSD17B10LPL
SCHEMBL3786518 0.77 SKP2 (0.56) SLC6A2SLC6A4SLC6A3HSD17B10LPL
SCHEMBL6487851 0.77 ENPP2 (0.45) ENPP2HSD17B10LPLLIPGCYP4F2
SCHEMBL29653353 0.77 ENPP2 (0.45) ENPP2HSD17B10LPLLIPGCYP4F2
SCHEMBL3784877 0.77 ENPP2 (0.45) ENPP2HSD17B10LPLLIPGKDM4E

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 1920/4885SLC6A2 2280/4885SLC6A4 3330/4885

“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.