SCHEMBL5665704

SCHEMBL5665704

COC(=O)C(N)CCCC(OC)OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.35
LTA4H P09960 2/20 0.35
DPP7 Q9UHL4 2/20 0.34
SLC15A1 P46059 1/20 0.34
DDAH1 O94760 2/20 0.34
NOD1 Q9Y239 2/20 0.34
SLC1A1 P43005 1/20 0.33
GSR P00390 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL5665693 1.00 CA1 (0.37) CA1CA2ZDHHC7LTA4HDPP7
SCHEMBL9383516 0.89 CA1 (0.43) CA1CA2ZDHHC7LTA4HDPP7
SCHEMBL27414290 0.88 LTA4H (0.36) CA1CA2ZDHHC7LTA4HSLC1A1
SCHEMBL27340491 0.88 LTA4H (0.36) CA1CA2ZDHHC7LTA4HSLC1A1
Hydrochloric Acid SCHEMBL9383511 0.87 CA1 (0.42) CA1CA2ZDHHC7LTA4HDPP7
Hydrochloric Acid SCHEMBL3623148 0.87 CA1 (0.42) CA1CA2ZDHHC7LTA4HDPP7
SCHEMBL16330498 0.85 ZDHHC7 (0.45) CA1CA2ZDHHC7LTA4HDPP7
SCHEMBL27405459 0.83 ZDHHC7 (0.48) CA1CA2ZDHHC7LTA4HDPP7
SCHEMBL27405457 0.83 ZDHHC7 (0.48) CA1CA2ZDHHC7LTA4HDPP7
SCHEMBL7023567 0.82 DDAH1 (0.39) CA1CA2LTA4HDPP7DDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097236-A4 STEREOSELECTIVE REDUCTIVE AMINATION OF KETONES BRISTOL MYERS SQUIBB CO (US) 2006-10-04 EP disclosed
EP-1109928-A4 ENZYMATIC OXIDATIVE DEAMINATION PROCESS BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
US-6649387-B2 From dipeptides BRISTOL-MYERS SQUIBB COMPANY 2003-11-18 US disclosed
US-6515170-B1 The present invention concerns an enzymatic oxidative deamination process to prepare an intermediate useful to prepare compounds having endopeptidase and angiotensin converting enzyme inhibition activity. BRISTOL-MYERS SQUIBB CO. 2003-02-04 US disclosed
US-6486331-B2 FOR STEREOSELECTIVE ENZYMATIC REDUCTIVE AMINATION FOR CONVERSION OF 5-(1,3-DIOXOLAN-2-YL)-2-OXO-PENTANOIC ACID TO 5-(1,3-DIOXOLAN-2-YL)-2S-AMINO-PENTANOIC ACID IN YEAST CULTURES BRISTOL-MYERS SQUIBB CO. 2002-11-26 US disclosed
US-6468781-B1 USING RECOMBINANT METHYLOTROPHIC YEAST HOST CELL CAPABLE OF PRODUCING BOTH PHENYLALANINE DEHYDROGENASE AND FORMATE DEHYDROGENASE BRISTOL-MYERS SQUIBB COMPANY 2002-10-22 US disclosed
US-20020049342-A1 Substituted alkylketo compounds and process HANSON RONALD L (US) 2002-04-25 US disclosed
US-6329542-B1 GLYCINAMIDE DERIVATIVE IS REACTED WITH DIOXOLANE COMPOUND, TREATING INTERMEDIATE WITH WATER AND REFLUXING TO GIVE DIOXOLANE PENTANOIC ACID COMPOUND WHICH IS TREATED TO EXCHANGE THE DIOXOLANE ACETAL WITH A DIMETHOXY ACETAL, ESTERIFICATION BRISTOL-MYERS SQUIBB CO. 2001-12-11 US disclosed
US-6329542-B1 GLYCINAMIDE DERIVATIVE IS REACTED WITH DIOXOLANE COMPOUND, TREATING INTERMEDIATE WITH WATER AND REFLUXING TO GIVE DIOXOLANE PENTANOIC ACID COMPOUND WHICH IS TREATED TO EXCHANGE THE DIOXOLANE ACETAL WITH A DIMETHOXY ACETAL, ESTERIFICATION BRISTOL-MYERS SQUIBB CO. 2001-12-11 US disclosed
US-6261810-B1 PREPARING SPECIFIC AMINO LACTAM COMPOUND BY CONTACTING DIPEPTIDE MONOMER WITH AMINOTRANSFERASE IN PRESENCE OF ALPHA-KETOGLUTARATE; FORMING CHEMICAL INTERMEDIATES OF INHIBITORS OF ENDOPEPTIDASE AND ANGIOTENSIN CONVERTING ENZYME BRISTOL-MYERS SQUIBB COMPANY 2001-07-17 US disclosed
EP-1109928-A1 ENZYMATIC OXIDATIVE DEAMINATION PROCESS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-27 EP disclosed
US-6248882-B1 VIA DIOXOLANE INTERMEDIATES BRISTOL-MYERS SQUIBB CO. 2001-06-19 US disclosed
EP-1097236-A1 STEREOSELECTIVE REDUCTIVE AMINATION OF KETONES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-05-09 EP disclosed
US-6166227-A Preparation of (S)-2-amino-6, 6-dimethoxyhexanoic acid methyl ester via novel dioxolanes BRISTOL-MYERS SQUIBB CO. (US) 2000-12-26 US disclosed
US-6140088-A Stereoselective reductive amination of ketones BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-31 US disclosed
WO-2000014265-A1 ENZYMATIC OXIDATIVE DEAMINATION PROCESS BRISTOL-MYERS SQUIBB CO. (US) 2000-03-16 WO disclosed
WO-2000004179-A1 STEREOSELECTIVE REDUCTIVE AMINATION OF KETONES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-27 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-20020049342-A1 Substituted alkylketo compounds and process DAO, KMO, BCAT1 CA1 2230/4885CA2 2478/4885ZDHHC7 1457/4885

“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.