SCHEMBL16626933

SCHEMBL16626933

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

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MASP2 O00187 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
ADRB1 P08588 2/20 0.39
ADRB3 P13945 1/20 0.39
RAB9A P51151 3/20 0.39
CNR1 P21554 1/20 0.39
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL20377516 1.00 HTT (0.47) HTTTAS1R3TAS1R1MASP2ATM
SCHEMBL16619838 1.00 HTT (0.47) HTTTAS1R3TAS1R1MASP2ATM
SCHEMBL20393580 0.94 HTT (0.47) HTTTAS1R3TAS1R1MASP2ATM
SCHEMBL20393572 0.93 HTT (0.43) HTTTAS1R3TAS1R1MASP2ATM
SCHEMBL18010313 0.93 HTT (0.49) HTTTAS1R3TAS1R1MASP2ATM
SCHEMBL18010312 0.93 HTT (0.49) HTTTAS1R3TAS1R1MASP2ATM
SCHEMBL16626931 0.91 HTT (0.47) HTTTAS1R3TAS1R1MASP2ATM
SCHEMBL18030910 0.91 HTT (0.47) HTTTAS1R3TAS1R1MASP2ATM
SCHEMBL20798468 0.91 HTT (0.47) HTTTAS1R3TAS1R1MASP2ATM
Hydrochloric Acid SCHEMBL18010329 0.90 HTT (0.46) HTTTAS1R3TAS1R1MASP2ATM

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 6 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
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 4805/4885TAS1R3 4655/4885TAS1R1 4223/4885
US-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety SLC30A6, DDO, SLC30A7 HTT 4805/4885TAS1R3 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.