SCHEMBL4425868

SCHEMBL4425868

O=P(O)(CNS(=O)(=O)c1cccc2cnccc12)Oc1cccnc1Cl.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 3/20 0.49
▸ PRKCG P05129 3/20 0.49
▸ PRKCB P05771 3/20 0.49
▸ PRKCA P17252 3/20 0.49
▸ PRKCH P24723 3/20 0.49
▸ PRKCI P41743 3/20 0.49
▸ PRKCE Q02156 3/20 0.49
▸ PRKCQ Q04759 3/20 0.49
▸ PRKCZ Q05513 3/20 0.49
▸ PRKCD Q05655 3/20 0.49
▸ PRKD1 Q15139 3/20 0.49
▸ PRKACA P17612 3/20 0.49
▸ PRKACG P22612 3/20 0.49
▸ PRKACB P22694 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TP53 P04637 1/20 0.49

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
SCHEMBL4424378 0.76 P2RX7 (0.55) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL4424427 0.76 L3MBTL1 (0.44) —
SCHEMBL4421984 0.75 EGFR (0.53) MEN1KMT2A
SCHEMBL4425842 0.74 MEN1 (0.51) MEN1KMT2A
SCHEMBL4422634 0.74 CYP2D6 (0.43) CYP3A4CYP2D6TP53LMNA
SCHEMBL4425255 0.73 EGFR (0.35) LMNA
SCHEMBL4421005 0.73 EGFR (0.35) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4433510 0.72 TSHR (0.47) MEN1KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL9541290 0.71 PRKCG (0.86) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7312125 0.70 PRKACA (0.78) PRKD3PRKCGPRKCBPRKCAPRKCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514556-B2 Inhibitors of β-lactamase METHYLGENE INC. (CA) 2009-04-07 — — US disclosed
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase METHYLGENE, INC. (CA) 2007-12-20 — — US disclosed
US-7259172-B2 phenyl or thien-2-yl substituted amide methyl phosphonate or phosphonyl halide derivatives; do not require a beta -lactam pharmacophore; bactericides; antibiotic resistance METHYLGENE INC. (CA) 2007-08-21 — — US disclosed
US-20060105999-A1 Novel inhibitors of beta-lactamase METHYLGENE, INC. (CA) 2006-05-18 — — US disclosed
US-7030103-B2 Sulfonamidomethyl phosphonate inhibitors of β-lactamase METHYLGENE, INC. (CA) 2006-04-18 — — US disclosed
EP-1194436-B1 SULFONAMIDOMETHYL PHOSPHONATE INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2005-11-30 — — EP disclosed
US-6921756-B2 Inhibitors of β-lactamase METHYLGENE, INC. (CA) 2005-07-26 — — US disclosed
US-6884791-B2 Inhibitors of β-lactamase METHYLGENE, INC. (CA) 2005-04-26 — — US disclosed
US-20050043276-A1 Novel inhibitors of beta-lactamase METHYLGENE, INC. (CA) 2005-02-24 — — US disclosed
WO-2004048393-A2 NOVEL INHIBITORS OF β-LACTAMASE METHYLGENE, INC. (CA) 2004-06-10 — — WO disclosed
US-20040082546-A1 Novel Inhibitors of beta-lactamase METHYLGENE, INC. 2004-04-29 — — US disclosed
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase 92229129 QUEBEC INC. (CA) 2004-03-25 — — US disclosed
US-20040029836-A1 Novel inhibitors of beta-lactamase 92229129 QUEBEC INC. (CA) 2004-02-12 — — US disclosed
US-6472406-B1 Sulfonamidomethyl phosphonate inhibitors of beta-lactamase METHYLGENE, INC. (CA) 2002-10-29 — — US disclosed
EP-1194436-A1 SULFONAMIDOMETHYL PHOSPHONATE INHIBITORS OF BETA-LACTAMASE Methylgene, Inc. (CA) 2002-04-10 — — EP disclosed
WO-2001002411-A1 SULFONAMIDOMETHYL PHOSPHONATE INHIBITORS OF β-LACTAMASE METHYLGENE INC. (CA) 2001-01-11 — — 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 (6 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-20050043276-A1 Novel inhibitors of beta-lactamase MGAM, LSS, CYP51A1 PRKD3 2730/4885PRKCG 793/4885PRKCB 751/4885
US-20040029836-A1 Novel inhibitors of beta-lactamase LSS, MGAM, COASY PRKD3 2794/4885PRKCG 942/4885PRKCB 974/4885
US-20060105999-A1 Novel inhibitors of beta-lactamase LSS, MGAM, LCT PRKD3 2789/4885PRKCG 646/4885PRKCB 622/4885
US-20040059115-A1 Novel sulfonamidomethyl phosphonate inhibitors of beta-lactamase PGLS, MGAM, STS PRKD3 1395/4885PRKCG 791/4885PRKCB 513/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 PRKD3 2730/4885PRKCG 793/4885PRKCB 751/4885
US-20040082546-A1 Novel Inhibitors of beta-lactamase LSS, MGAM, COASY PRKD3 3093/4885PRKCG 869/4885PRKCB 924/4885

“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.

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