SCHEMBL3480246

SCHEMBL3480246

O=S(=O)(c1ccc(O)cc1F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.38
ESR1 P03372 6/20 0.36
ESR2 Q92731 5/20 0.36
CNR1 P21554 1/20 0.36
PTGS1 P23219 1/20 0.36
MIF P14174 1/20 0.36
EPAS1 Q99814 5/20 0.36
ALDH1A1 P00352 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
VEGFA P15692 4/20 0.35
KIF11 P52732 1/20 0.34

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
SCHEMBL14215943 0.82 PDK2 (0.44) ESR1ESR2PTGS1MIFALDH1A1
SCHEMBL14215947 0.81 ESR1 (0.36) ESR1ESR2CNR1PTGS1MIF
SCHEMBL11420060 0.79 HSD17B10 (0.43) ESR1ESR2EPAS1VEGFA
SCHEMBL9694363 0.79 ALDH1A1 (0.40) ESR1ESR2EPAS1ALDH1A1HSD17B2
SCHEMBL14215944 0.79 ESR1 (0.33) ESR1ESR2PTGS1EPAS1ALDH1A1
SCHEMBL13758572 0.78 LMNA (0.44) KAT6AESR1ESR2PTGS1MIF
SCHEMBL15844946 0.77 AKR1B1 (0.46) EPAS1VEGFA
SCHEMBL1128576 0.76 ENPP2 (0.45) KAT6AESR1ESR2PTGS1MIF
SCHEMBL3818556 0.76 KAT6A (0.40) KAT6AESR1ESR2PTGS1MIF
SCHEMBL1574887 0.76 CA2 (0.45) KAT6APTGS1

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 KAT6A 2256/4885ESR1 3131/4885ESR2 2953/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS KAT6A 1447/4885ESR1 3860/4885ESR2 4073/4885

“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.