SCHEMBL16968554

SCHEMBL16968554

CS(=O)(=O)c1ccc(-c2ccc(B(O)O)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.88
CA2 P00918 2/20 0.50
CA1 P00915 1/20 0.50
MGLL Q99685 1/20 0.50
PTGS2 P35354 9/20 0.47
ERN1 O75460 2/20 0.43
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
KIF11 P52732 1/20 0.42

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
SCHEMBL8675 0.94 ENPP2 (1.00) ENPP2CA2CA1PTGS2LPL
SCHEMBL10300269 0.82 PTGS2 (0.62) ENPP2CA2PTGS2KIF11
SCHEMBL7677302 0.82 PTGS2 (0.62) ENPP2CA2PTGS2KIF11
SCHEMBL29129729 0.79 ENPP2 (0.61) ENPP2PTGS2
SCHEMBL806835 0.76 CA2 (0.78) ENPP2CA2CA1MGLLLPL
SCHEMBL13667445 0.76 CA2 (0.78) ENPP2CA2CA1MGLLLPL
SCHEMBL18394607 0.76 CA2 (0.78) ENPP2CA2CA1MGLLLPL
SCHEMBL2557507 0.76 ENPP2 (0.52) ENPP2PTGS2
SCHEMBL15771185 0.76 ENPP2 (0.56) ENPP2PTGS2KIF11
SCHEMBL388018 0.76 ENPP2 (0.86) ENPP2CA2CA1PTGS2

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-9556193-B2 Benzimidazole hexahydrofuro[3,2-b]furan derivatives Merck Shapr & Dohme Corp. (US) 2017-01-31 US disclosed
US-20150218183-A1 NOVEL BENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-08-06 US 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-20150218183-A1 NOVEL BENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES PRKAG3, PRKAG2, PRKAB2 ENPP2 2945/4885CA2 3192/4885CA1 4880/4885

“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.