SCHEMBL1686852

SCHEMBL1686852

Cn1cc(OC(c2ccccc2)c2ccccc2)c(=O)cc1CO

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
COMT P21964 5/20 0.40
AR P10275 1/20 0.35
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL1686843 0.86 COMT (0.41) COMT
SCHEMBL1686711 0.84 COMT (0.38) COMTLTB4RLTB4R2
SCHEMBL9366982 0.84 COMT (0.38) COMTLTB4RLTB4R2
SCHEMBL1686996 0.84 IDO1 (0.34)
SCHEMBL6181240 0.84 COMT (0.40) COMTLTB4RLTB4R2
SCHEMBL9367369 0.83 COMT (0.36) COMT
SCHEMBL9367570 0.82 COMT (0.40) COMT
SCHEMBL9370311 0.81 COMT (0.38) COMTLTB4RLTB4R2
SCHEMBL9366427 0.80 COMT (0.36) COMTLTB4RLTB4R2
SCHEMBL9367581 0.79 COMT (0.37) COMT

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 15 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-2308874-B1 Bridged monobactams useful as beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2013-01-23 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-1965798-B1 USEFUL MONOBACTAM ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-10-19 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
EP-0349340-B1 Novel cephem compound, method for producing the same and anti-bacterial agent MEIJI SEIKA CO (JP) 1994-09-07 EP disclosed
US-4988686-A Cephalosporin antibiotics MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-01-29 US disclosed
EP-0349340-A2 Novel cephem compound, method for producing the same and anti-bacterial agent MEIJI SEIKA KABUSHIKI KAISHA (JP) 1990-01-03 EP 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 COMT 386/4885AR 4605/4885LTB4R 2412/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M COMT 386/4885AR 4605/4885LTB4R 2412/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M COMT 455/4885AR 4582/4885LTB4R 2373/4885

“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.