SCHEMBL2748559

SCHEMBL2748559

NCC(N)C[C@H](N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.54
SLC1A1 P43005 4/20 0.50
SLC1A3 P43003 4/20 0.48
SLC1A2 P43004 4/20 0.48
PTGS1 P23219 1/20 0.46
SLC7A11 Q9UPY5 1/20 0.46
GRIK1 P39086 5/20 0.45
GRIK2 Q13002 4/20 0.45
GGT1 P19440 2/20 0.44
GRM1 Q13255 1/20 0.44
GRM2 Q14416 1/20 0.44
GSR P00390 1/20 0.44
GRIA4 P48058 1/20 0.43
GRIK3 Q13003 1/20 0.43
GRIK5 Q16478 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
SCHEMBL8429936 1.00 SLC7A5 (0.54) SLC7A5SLC1A1SLC1A3SLC1A2PTGS1
SCHEMBL6232483 0.86 SLC7A5 (0.62) SLC7A5SLC1A1SLC1A3SLC1A2PTGS1
SCHEMBL7717383 0.80 GSR (0.52) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL20422728 0.80 GSR (0.52) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL600881 0.80 SLC7A5 (0.68) SLC7A5SLC1A1SLC1A3SLC1A2PTGS1
SCHEMBL9545322 0.80 SLC7A5 (0.68) SLC7A5SLC1A1SLC1A3SLC1A2PTGS1
SCHEMBL29024969 0.80 SLC7A5 (0.68) SLC7A5SLC1A1SLC1A3SLC1A2PTGS1
SCHEMBL17558883 0.79 SLC1A1 (0.62) SLC7A5SLC1A1SLC1A3SLC1A2PTGS1
Diaminopropanoic Acid SCHEMBL297184 0.77
Diaminopropanoic Acid SCHEMBL42470 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed
EP-2155775-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Mpex Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
WO-2008141010-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-11-20 WO disclosed
WO-2008141010-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-11-20 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 SLC7A5 414/4885SLC1A1 1681/4885SLC1A3 2094/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 SLC7A5 414/4885SLC1A1 1681/4885SLC1A3 2094/4885

“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.