SCHEMBL3480773

SCHEMBL3480773

COc1ccc(S(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
PTPN1 P18031 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 3/20 0.47
SLC40A1 Q9NP59 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.45
ALDH3A1 P30838 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
G6PD P11413 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
VCAM1 P19320 1/20 0.42
RAB9A P51151 2/20 0.41

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
SCHEMBL8960247 0.81 POLB (0.53) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL3919900 0.81 VCAM1 (0.60) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL3906545 0.80 POLB (0.52) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL6038599 0.80 POLB (0.52) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL540736 0.80 POLB (0.52) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL6038596 0.80 POLB (0.52) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL12727381 0.79 POLB (0.51) POLBMCOLN3ALDH1A1MAPK1SLC40A1
Water SCHEMBL3157352 0.79 POLB (0.51) POLBMCOLN3ALDH1A1MAPK1SLC40A1
Hydrochloric Acid SCHEMBL27447923 0.79 POLB (0.51) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL8136406 0.78 ALDH1A1 (0.52) PTPN1ALDH1A1MAPK1MEN1KMT2A

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 POLB 538/4885MCOLN3 3531/4885PTPN1 438/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS POLB 457/4885MCOLN3 3148/4885PTPN1 593/4885

“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.