SCHEMBL3480772

SCHEMBL3480772

COc1cc(C)c(B(O)O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.46
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 1/20 0.40
ACHE P22303 2/20 0.39
CYP3A4 P08684 3/20 0.37
MAPT P10636 2/20 0.37
TUBB4A P04350 3/20 0.37
TUBB P07437 3/20 0.37
TUBA3C P0DPH7 3/20 0.37
TUBA1B P68363 3/20 0.37
TUBA4A P68366 3/20 0.37
TUBB4B P68371 3/20 0.37
TUBB3 Q13509 3/20 0.37
TUBB2A Q13885 3/20 0.37
TUBB8 Q3ZCM7 3/20 0.37
TUBA3E Q6PEY2 3/20 0.37
TUBA1A Q71U36 3/20 0.37
TUBA1C Q9BQE3 3/20 0.37
TUBB6 Q9BUF5 3/20 0.37

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
SCHEMBL29956202 0.88 ENPP2 (0.45) ENPP2ORAI1ORAI2ORAI3MAPT
SCHEMBL30905960 0.88 ENPP2 (0.45) ENPP2ORAI1ORAI2ORAI3ACHE
SCHEMBL5859114 0.88 ENPP2 (0.45) ENPP2ORAI1ORAI2ORAI3MAPT
SCHEMBL23406340 0.84 ENPP2 (0.45) ENPP2ORAI1ORAI2ORAI3MAPT
SCHEMBL6082642 0.83 GAA (0.44) ENPP2MAPTALDH1A1TSHRTAAR1
SCHEMBL5418436 0.83 ENPP2 (0.41) ENPP2ORAI1ORAI2ORAI3TUBB4A
SCHEMBL28934272 0.81 ENPP2 (0.46) ENPP2ORAI1ORAI2ORAI3ACHE
SCHEMBL3298576 0.79 ENPP2 (0.54) ENPP2ORAI1ORAI2ORAI3ACHE
SCHEMBL666491 0.77 GAA (0.49) MAPTALDH1A1KDM4ETDP1POLB
SCHEMBL1912056 0.76 ACHE (0.52) ACHECYP3A4MAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US disclosed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO disclosed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 ENPP2 762/4885ORAI1 2592/4885ORAI2 2376/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS ENPP2 2278/4885ORAI1 1229/4885ORAI2 2408/4885

“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.