SCHEMBL16619343

SCHEMBL16619343

C[C@@H](NC(=O)CCC(=O)NCCc1ccc(NC(=O)CN(Cc2ccccn2)Cc2ccccn2)cc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL16626929 0.97 POLB (0.43) POLBTAS1R3TAS1R1MEN1KMT2A
SCHEMBL20393852 0.93 POLB (0.41) POLBTAS1R3TAS1R1MEN1KMT2A
SCHEMBL16626914 0.91 POLB (0.42) POLBTAS1R3TAS1R1MEN1KMT2A
SCHEMBL16626910 0.88 HTT (0.41) POLBTAS1R3TAS1R1MEN1KMT2A
SCHEMBL16619657 0.88 HPGD (0.46) POLBHPGDALOX15TDP1HTR1A
SCHEMBL18010313 0.84 HTT (0.49) POLBTAS1R3TAS1R1MEN1KMT2A
SCHEMBL18010312 0.84 HTT (0.49) POLBTAS1R3TAS1R1MEN1KMT2A
SCHEMBL16620250 0.84 CNR1 (0.46) TAS1R3TAS1R1HTTHPGDALOX15
SCHEMBL20393580 0.83 HTT (0.47) TAS1R3TAS1R1MEN1KMT2AHTT
SCHEMBL20393572 0.82 HTT (0.43) POLBTAS1R3TAS1R1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety Universitetet | Oslo (NO) 2019-03-12 US disclosed
US-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety Universitetet | Oslo (NO) 2019-03-12 US disclosed
EP-3052135-B1 INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY UNIV OSLO (NO) 2018-07-18 EP disclosed
EP-3052135-B1 INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY UNIV OSLO (NO) 2018-07-18 EP disclosed
US-20160244431-A1 Inhibitors of Metallo-Beta-Lactamase (MBL) Comprising a Zinc Chelating Moiety UNIVERSITETET I OSLO (NO) 2016-08-25 US disclosed
US-20160244431-A1 Inhibitors of Metallo-Beta-Lactamase (MBL) Comprising a Zinc Chelating Moiety UNIVERSITETET I OSLO (NO) 2016-08-25 US disclosed
EP-3052135-A1 INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY Universitetet I Oslo (NO) 2016-08-10 EP disclosed
WO-2015049546-A1 INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY UNIVERSITETET I OSLO (NO) 2015-04-09 WO disclosed
WO-2015049546-A1 INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY UNIVERSITETET I OSLO (NO) 2015-04-09 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-20160244431-A1 Inhibitors of Metallo-Beta-Lactamase (MBL) Comprising a Zinc Chelating Moiety SLC30A6, DDO, SLC30A7 POLB 565/4885TAS1R3 4655/4885TAS1R1 4223/4885
US-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety SLC30A6, DDO, SLC30A7 POLB 565/4885TAS1R3 4655/4885TAS1R1 4223/4885

“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.