SCHEMBL997468

SCHEMBL997468

CSCC[C@H](N)C(=O)OC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
MARS1 P56192 10/20 0.37
ANPEP P15144 1/20 0.36
ENPEP Q07075 1/20 0.36
NOS2 P35228 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
BHMT Q93088 1/20 0.33
BHMT2 Q9H2M3 1/20 0.33

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
SCHEMBL5617582 0.90 RNPEP (0.42) RNPEPMETAP2METAP1MARS1ANPEP
SCHEMBL6045793 0.90 RNPEP (0.42) RNPEPMETAP2METAP1MARS1ANPEP
SCHEMBL162031 0.90 RNPEP (0.42) RNPEPMETAP2METAP1MARS1ANPEP
SCHEMBL20996747 0.90 RNPEP (0.42) RNPEPMETAP2METAP1MARS1ANPEP
SCHEMBL27883634 0.87 RNPEP (0.37) RNPEPMETAP2METAP1MARS1ANPEP
SCHEMBL17975913 0.85 RNPEP (0.38) RNPEPMETAP2METAP1MARS1ANPEP
SCHEMBL1129959 0.85 RNPEP (0.38) RNPEPMETAP2METAP1MARS1ANPEP
SCHEMBL14754348 0.84 RNPEP (0.41) RNPEPMETAP2METAP1MARS1ANPEP
SCHEMBL250758 0.84 RNPEP (0.41) RNPEPMETAP2METAP1MARS1ANPEP
SCHEMBL1828293 0.84 METAP2 (0.35) RNPEPMETAP2METAP1MARS1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192095-A1 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS SHIRE LLC (US) 2009-07-30 US claimed
WO-2009092073-A2 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS SHIRE LLC (US) 2009-07-23 WO claimed
WO-2009092071-A2 AMINO ACID AND PEPTIDE PRO-DRUGS OF PHENOLIC ANALGESICS AND USES THEREOF SHIRE LLC (US) 2009-07-23 WO claimed
US-20090186832-A1 AMINO ACID PEPTIDE PRO-DRUGS OF PHENOLIC ANALGESICS AND USES THEREOF SHIRE LLC (US) 2009-07-23 US claimed
US-20120270847-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF SHIRE LLC (US) 2012-10-25 US disclosed
EP-2453900-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF Shire LLC (US) 2012-05-23 EP disclosed
WO-2011007247-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2011-01-20 WO disclosed
US-20110015182-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC 2011-01-20 US disclosed
US-20090192095-A1 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS SHIRE LLC (US) 2009-07-30 US disclosed
WO-2009092073-A2 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS SHIRE LLC (US) 2009-07-23 WO disclosed
US-20090186832-A1 AMINO ACID PEPTIDE PRO-DRUGS OF PHENOLIC ANALGESICS AND USES THEREOF SHIRE LLC (US) 2009-07-23 US disclosed
EP-1575900-A4 N-METHYL AMINO ACIDS UBIQUITOUS TECHNOLOGIES PTY LT (AU) 2007-02-21 EP disclosed
US-20050245432-A1 N-methyl amino acids UBIQUITOUS TECHNOLOGIES PTY. LTD. (AU) 2005-11-03 US disclosed
EP-1575900-A1 N-METHYL AMINO ACIDS UBIQUITOUS TECHNOLOGIES PTY LTD (AU) 2005-09-21 EP disclosed
WO-2004007427-A1 N-METHYL AMINO ACIDS UBIQUITOUS TECHNOLOGIES PTY LTD (AU) 2004-01-22 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 (5 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-20050245432-A1 N-methyl amino acids VIP, NPPA, PTMS RNPEP 46/4885METAP2 50/4885METAP1 34/4885
US-20110015182-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF OPRL1, OPRM1, DNPEP RNPEP 70/4885METAP2 93/4885METAP1 16/4885
US-20120270847-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF OPRL1, OPRM1, DNPEP RNPEP 61/4885METAP2 78/4885METAP1 14/4885
US-20090186832-A1 AMINO ACID PEPTIDE PRO-DRUGS OF PHENOLIC ANALGESICS AND USES THEREOF DNPEP, PEPD, PREP RNPEP 90/4885METAP2 34/4885METAP1 9/4885
US-20090192095-A1 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS OPRL1, OGFR, OPRK1 RNPEP 58/4885METAP2 142/4885METAP1 43/4885

“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.