SCHEMBL3213558

SCHEMBL3213558

O=[N+]([O-])c1ccc(OP(=O)(O)CNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
CA2 P00918 5/20 0.51
CA1 P00915 3/20 0.51
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
CA12 O43570 3/20 0.48
CA9 Q16790 3/20 0.48
MMP2 P08253 3/20 0.48
CA14 Q9ULX7 2/20 0.48
CYP19A1 P11511 1/20 0.47
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL6382392 0.99 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL4420572 0.94 CA2 (0.55) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL4430960 0.93 CA2 (0.50) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL4431502 0.89 MEN1 (0.49) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL4431500 0.88 MEN1 (0.48) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL4419753 0.88 FLT1 (0.52) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL4427321 0.88 GAA (0.56) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL4422627 0.88 KMT2A (0.58) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL4427284 0.88 GAA (0.50) ALDH1A1KMT2AMEN1CA2CA1
SCHEMBL4427316 0.86 MEN1 (0.48) ALDH1A1KMT2AMEN1CA2CA1

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 4 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-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
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 US 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-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M ALDH1A1 2194/4885KMT2A 1169/4885MEN1 2778/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M ALDH1A1 2423/4885KMT2A 1199/4885MEN1 2610/4885

“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.