SCHEMBL16626910

SCHEMBL16626910

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

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
POLB P06746 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ADRB1 P08588 2/20 0.38
ADRB3 P13945 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 4/20 0.36

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
SCHEMBL16626914 0.97 POLB (0.42) HTTPOLBTAS1R3TAS1R1ADRB1
SCHEMBL16626929 0.92 POLB (0.43) HTTPOLBTAS1R3TAS1R1ADRB1
SCHEMBL16619343 0.88 POLB (0.46) HTTPOLBTAS1R3TAS1R1ADRB1
SCHEMBL20393580 0.86 HTT (0.47) HTTTAS1R3TAS1R1ADRB1ADRB3
SCHEMBL18010313 0.85 HTT (0.49) HTTPOLBTAS1R3TAS1R1ADRB1
SCHEMBL18010312 0.85 HTT (0.49) HTTPOLBTAS1R3TAS1R1ADRB1
SCHEMBL20377516 0.85 HTT (0.47) HTTTAS1R3TAS1R1ADRB1ADRB3
SCHEMBL16619838 0.85 HTT (0.47) HTTTAS1R3TAS1R1ADRB1ADRB3
SCHEMBL16626933 0.85 HTT (0.47) HTTTAS1R3TAS1R1ADRB1ADRB3
SCHEMBL20393852 0.83 POLB (0.41) HTTPOLBTAS1R3TAS1R1ADRB1

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-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
US-20160244431-A1 Inhibitors of Metallo-Beta-Lactamase (MBL) Comprising a Zinc Chelating Moiety UNIVERSITETET I OSLO (NO) 2016-08-25 US 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 HTT 4805/4885POLB 565/4885TAS1R3 4655/4885
US-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety SLC30A6, DDO, SLC30A7 HTT 4805/4885POLB 565/4885TAS1R3 4655/4885

“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.