SCHEMBL3785228

SCHEMBL3785228

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 1/20 0.33
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
VCAM1 P19320 1/20 0.31

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
SCHEMBL3784658 0.78 ALDH1A1 (0.37) GAAMAPK1MAPTHTTHSD17B10
SCHEMBL3789223 0.73 GAA (0.46) GAAMAPK1MAPTHTTHSD17B10
SCHEMBL3782240 0.72 ALDH1A1 (0.34) GAAMAPTHSD17B10ALOX15ALDH1A1
SCHEMBL22789253 0.70 GAA (0.38) GAAMAPK1MAPTHTTHSD17B10
Hydrochloric Acid SCHEMBL22775101 0.68 GAA (0.37) GAAMAPK1MAPTHTTHSD17B10
SCHEMBL3790404 0.67 ALDH1A1 (0.34) GAAMAPK1HSD17B10ALDH1A1SELE
SCHEMBL22789340 0.65 MAPK1 (0.35) GAAMAPK1MAPTHTTHSD17B10
SCHEMBL3788053 0.65 MGLL (0.34) MAPTALDH1A1
SCHEMBL26585026 0.64 ALDH1A1 (0.39) GAAMAPK1MAPTHSD17B10ALOX15
Hydrochloric Acid SCHEMBL22774722 0.64 MAPK1 (0.34) GAAMAPK1HSD17B10

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.