SCHEMBL1687150

SCHEMBL1687150

CCN(NC(=O)OC(C)(C)C)C(=O)c1ccc(SCC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.40
FFAR1 O14842 1/20 0.38
CTSB P07858 2/20 0.36
ELANE P08246 1/20 0.36
DUSP3 P51452 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
PPARD Q03181 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 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
SCHEMBL5077490 0.84 ALDH1A1 (0.39) ALDH1A1GAAFFAR1CTSBELANE
SCHEMBL2789271 0.80 AKT1 (0.44) AKT1ALDH1A1CTSBCTSLCTSS
SCHEMBL20557709 0.77 DGAT1 (0.40) AKT1ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL1686997 0.77 PDK1 (0.43) ALDH1A1GAAFFAR1CTSBELANE
SCHEMBL4200404 0.75 ALDH1A1 (0.53) ALDH1A1GAAFFAR1CTSBELANE
SCHEMBL1686999 0.75 KMT2A (0.44) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL1686957 0.74 DGAT1 (0.47) ALDH1A1GAALMNARAB9ASMN1; SMN2
SCHEMBL5284350 0.74 GAA (0.63) ALDH1A1GAAFFAR1CTSBELANE
SCHEMBL9429515 0.70 AKT1 (0.36) AKT1ALDH1A1CTSBCTSLCTSS
SCHEMBL8906690 0.70 AKT1 (0.36) AKT1ALDH1A1CTSBCTSLCTSS

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-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

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 AKT1 582/4885ALDH1A1 2194/4885GAA 24/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M AKT1 582/4885ALDH1A1 2194/4885GAA 24/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M AKT1 488/4885ALDH1A1 2423/4885GAA 25/4885

“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.