SCHEMBL1687192

SCHEMBL1687192

O=C(O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(B(O)O)c3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
CA12 O43570 2/20 0.58
CA9 Q16790 2/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
CYP2C9 P11712 1/20 0.53
ATIC P31939 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PFKFB3 Q16875 1/20 0.52
GFER P55789 2/20 0.51
AKR1C3 P42330 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL8018877 0.97 POLB (0.62) POLBCA12CA9CA1CA2
SCHEMBL8013313 0.95 POLB (0.59) POLBCA12CA9CA1CA2
SCHEMBL8009397 0.85 KMT2A (0.65) KMT2AMEN1MAPTPKMPFKFB3
SCHEMBL15649873 0.82 HSD17B2 (0.56) POLBCA1CA2KMT2AMEN1
SCHEMBL893905 0.81 CA12 (0.73) POLBCA12CA9CA1CA2
SCHEMBL3715141 0.81 CA12 (0.75) POLBCA12CA9CA1CA2
SCHEMBL28632297 0.81 L3MBTL1 (0.58) CA1CA2KMT2AMEN1MAPT
SCHEMBL12260987 0.81 CA12 (0.59) CA12CA9CA1CA2KMT2A
SCHEMBL7997931 0.81 HTR6 (0.68) POLBCA9CA1CA2KMT2A
SCHEMBL662338 0.78 KMT2A (0.65) POLBCA12CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346799-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICALS AG (CH) 2016-05-24 US disclosed
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2016-05-05 US disclosed
US-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2015-01-29 US disclosed
US-8901293-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2014-12-02 US disclosed
EP-2484680-B1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2013-06-26 EP disclosed
EP-2484680-A1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors Basilea Pharmaceutica AG (CH) 2012-08-08 EP disclosed
EP-2308874-A1 Useful beta-lactamase inhibitors Basilea Pharmaceutica AG (CH) 2011-04-13 EP disclosed
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 US disclosed
EP-1965798-A2 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS Basilea Pharmaceutica AG (CH) 2008-09-10 EP disclosed
WO-2007065288-A2 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2007-06-14 WO disclosed
WO-2000035904-A1 INHIBITORS OF β-LACTAMASES AND USES THEREFOR NORTHWESTERN UNIVERSITY (US) 2000-06-22 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 (3 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-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M POLB 316/4885CA12 773/4885CA9 76/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M POLB 316/4885CA12 773/4885CA9 76/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M POLB 277/4885CA12 777/4885CA9 57/4885

“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.