SCHEMBL3787503

SCHEMBL3787503

O=C(c1ccc(B(O)O)cc1C(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
CES1 P23141 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
PLA2G2D Q9UNK4 1/20 0.35
HTT P42858 1/20 0.33
ACHE P22303 1/20 0.33
TTR P02766 1/20 0.32
ENPP2 Q13822 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 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
SCHEMBL1046198 0.74 CES1 (0.56) MGLLCES1
SCHEMBL29817020 0.72 ASPH (0.46) MGLL
SCHEMBL1044713 0.72 ACHE (0.54) MGLLCES1ACHEENPP2
SCHEMBL9108679 0.72 ASPH (0.46) MGLL
SCHEMBL3785393 0.72 ACHE (0.46) CES1PLA2G2DACHE
SCHEMBL30807652 0.71 ALDH1A1 (0.44) MGLLCA1CA2TTRENPP2
SCHEMBL918043 0.71 ALDH1A1 (0.44) MGLLCA1CA2TTRENPP2
SCHEMBL32678783 0.70 ASPH (0.49) MGLL
SCHEMBL32678781 0.70 ASPH (0.49) MGLL
SCHEMBL3791204 0.69 CA2 (0.39) CA1CA2MAPK1TTRENPP2

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 MGLL 1314/4885CES1 4009/4885CA1 3273/4885

“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.