SCHEMBL3789223

SCHEMBL3789223

CCc1cc(B(O)O)c(N)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.39
SELE P16581 2/20 0.33
VCAM1 P19320 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
TMIGD3 P0DMS9 1/20 0.32
ADORA1 P30542 1/20 0.32
ICAM1 P05362 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TSHR P16473 2/20 0.31
HRH4 Q9H3N8 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LPL P06858 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
SCHEMBL3790404 0.77 ALDH1A1 (0.34) GAAMAPK1HSD17B10SELEVCAM1
SCHEMBL3785228 0.73 GAA (0.38) GAAMAPK1MAPTHTTHSD17B10
SCHEMBL3781344 0.71 ALDH1A1 (0.39) GAAMAPTHSD17B10ALOX15ALDH1A1
SCHEMBL13160785 0.71
Hydrochloric Acid SCHEMBL22774982 0.70 GAA (0.49) GAAMAPK1MAPTHTTHSD17B10
SCHEMBL13160441 0.69 ALDH1A1 (0.56) GAAMAPK1MAPTHTTHSD17B10
SCHEMBL5025179 0.68 MAPK1 (0.65) GAAMAPK1MAPTHTTHSD17B10
SCHEMBL3784658 0.67 ALDH1A1 (0.37) GAAMAPK1MAPTHTTHSD17B10
SCHEMBL4840749 0.65 GAA (0.41) GAAMAPK1MAPTHTTHSD17B10
SCHEMBL8289684 0.65 MAPT (0.70) GAAMAPK1MAPTHTTHSD17B10

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 GAA 1755/4885MAPK1 4726/4885MAPT 3312/4885

“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.