SCHEMBL3786642

SCHEMBL3786642

Nc1ccc(CO)cc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.44
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 2/20 0.37
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 2/20 0.36
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL3189327 0.83 LPL (0.48) KDM4EGAAMAPTMEN1POLB
SCHEMBL3785854 0.83 ENPP2 (0.44) ENPP2PRSS1PRSS2PRSS3KDM4E
SCHEMBL3791706 0.80 LPL (0.52) MAPTRAB9ALPLLIPG
SCHEMBL3786861 0.77 SKP2 (0.61) RAB9AHSD17B10LPLLIPGALDH1A1
SCHEMBL24456142 0.77 ENPP2 (0.45) ENPP2PRSS1PRSS2PRSS3HSD17B10
SCHEMBL29653364 0.77 ENPP2 (0.45) ENPP2PRSS1PRSS2PRSS3HSD17B10
SCHEMBL3791071 0.77 ENPP2 (0.45) ENPP2PRSS1PRSS2PRSS3KDM4E
SCHEMBL29955406 0.75 ENPP2 (0.44) ENPP2MAPTRAB9AHSD17B10SLC6A2
SCHEMBL7962703 0.75 CYP4F2 (0.47) ENPP2PRSS1PRSS2PRSS3HSD17B10
SCHEMBL2533149 0.75 ENPP2 (0.44) ENPP2MAPTRAB9AHSD17B10SLC6A2

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 1920/4885PRSS1 4531/4885PRSS2 4003/4885

“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.