SCHEMBL4618451

SCHEMBL4618451

COc1cccc(B(O)S)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.71
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ACHE P22303 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CYP3A4 P08684 1/20 0.45
CA4 P22748 1/20 0.44
LTA4H P09960 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PARP1 P09874 1/20 0.43
RELA Q04206 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL5140 0.83 ENPP2 (1.00) ENPP2CA1CA2ACHECES2
SCHEMBL7344145 0.83 ENPP2 (1.00) ENPP2CA1CA2ACHECES2
Methyl Alcohol SCHEMBL28712606 0.82 ENPP2 (0.96) ENPP2CA1CA2ACHECES2
SCHEMBL12524808 0.82 ENPP2 (0.74) ENPP2CA1CA2ACHECES2
SCHEMBL21658445 0.79 ENPP2 (0.69) ENPP2CA1CA2ACHECES2
SCHEMBL3737373 0.79 CA1 (0.67) ENPP2CA1CA2ACHECES2
1,3-Dimethoxybenzene SCHEMBL4624082 0.78 ENPP2 (0.68) ENPP2CA1CA2ACHECES2
SCHEMBL480132 0.77 ENPP2 (0.67) ENPP2CA1CA2ACHECES2
SCHEMBL28060965 0.77 ENPP2 (0.85) ENPP2CA1CA2ACHECYP3A4
SCHEMBL27951222 0.77 ENPP2 (0.67) ENPP2CA1CA2ACHECES2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167255-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2008-07-10 US disclosed
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
US-7320972-B2 4-Biarylyl-1-phenylazetidin-2-ones MICROBIA, INC. (US) 2008-01-22 US disclosed
EP-1832576-A1 4-Biarylyl-1-phenolyzetidin-2-ones Microbia Inc. (US) 2007-09-12 EP disclosed
EP-1682499-B1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA INC (US) 2007-08-08 EP disclosed
CN-1902169-A 4-biaryl-1-phenylazetidin-2-ones MICROBIA INC (US) 2007-01-24 CN disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 WO disclosed
EP-1682499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2006-07-26 EP disclosed
US-20050209165-A1 4-Biarylyl-1-phenylazetidin-2-ones IRONWOOD PHARMACEUTICALS, INC. 2005-09-22 US disclosed
WO-2005047248-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2005-05-26 WO 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 (2 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-20080167255-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES APOB, CYP46A1, PCSK9 ENPP2 2560/4885CA1 4882/4885CA2 4829/4885
US-20050209165-A1 4-Biarylyl-1-phenylazetidin-2-ones APOB, CYP46A1, PCSK9 ENPP2 2560/4885CA1 4882/4885CA2 4829/4885

“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.