SCHEMBL16620336

SCHEMBL16620336

C[C@@H](NC(=O)O)C(=O)N[C@H](C)C(=O)NCCc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ACHE P22303 3/20 0.45
EPHX1 P07099 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MASP2 O00187 1/20 0.44
RORC P51449 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
BCHE P06276 2/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL18010328 1.00 POLB (0.46) POLBACHEEPHX1KDM4EALDH1A1
SCHEMBL18030928 0.91 CA1 (0.45) POLBACHEEPHX1KDM4EALDH1A1
SCHEMBL20798471 0.91 POLB (0.45) POLBACHEEPHX1KDM4EALDH1A1
SCHEMBL18010312 0.88 HTT (0.49) POLBALDH1A1MASP2MEN1KMT2A
SCHEMBL18010313 0.88 HTT (0.49) POLBALDH1A1MASP2MEN1KMT2A
SCHEMBL16619393 0.83 CA1 (0.53) POLBACHEKDM4EALDH1A1MAPT
SCHEMBL20393580 0.81 HTT (0.47) ALDH1A1MAPTMASP2MEN1KMT2A
SCHEMBL20377516 0.80 HTT (0.47) ALDH1A1MAPTMASP2MEN1KMT2A
SCHEMBL16626933 0.80 HTT (0.47) ALDH1A1MAPTMASP2MEN1KMT2A
SCHEMBL16619838 0.80 HTT (0.47) ALDH1A1MAPTMASP2MEN1KMT2A

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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 565/4885ACHE 758/4885EPHX1 4120/4885

“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.