SCHEMBL6807748

SCHEMBL6807748

CCCC[C@H](N)CC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.48
CA1 P00915 2/20 0.48
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
ALDH1A1 P00352 1/20 0.42
S1PR2 O95136 6/20 0.41
S1PR1 P21453 6/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR4 O95977 4/20 0.41
DPP7 Q9UHL4 2/20 0.41
SLC15A1 P46059 1/20 0.41
MAPK1 P28482 1/20 0.40
DPP4 P27487 1/20 0.40
DPP9 Q86TI2 1/20 0.40

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
SCHEMBL7860013 1.00 CA2 (0.48) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL4902507 0.98 CA2 (0.47) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL6802942 0.91 S1PR2 (0.52) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL8186793 0.91 S1PR2 (0.52) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL28617729 0.91 S1PR2 (0.52) ALDH1A1S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL6802283 0.90 S1PR2 (0.50) ALDH1A1S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL6807996 0.90 S1PR2 (0.50) ALDH1A1S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL6797823 0.90 S1PR2 (0.50) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL5206524 0.86
SCHEMBL288356 0.82 S1PR2 (0.57) CA2CA1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289888-A2 Epoxycarboxylic acid amides, azides and amino alcohols and processes for preparation of alpha-keto amides by using them SEIKAGAKU CORPORATION (JP) 2011-03-02 EP disclosed
EP-2289887-A2 Epoxycarboxylic acid amides, azides and amino alcohols and processes for preparation of alpha-keto amides by using them SEIKAGAKU CORPORATION (JP) 2011-03-02 EP disclosed
WO-2011014494-A1 ENANTIO- AND STEREO-SPECIFIC SYNTHESES OF β-AMINO-α- HYDROXY AMIDES SCHERING CORPORATION (US) 2011-02-03 WO disclosed
US-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. 2009-08-13 US disclosed
US-7294616-B2 Capreomycin derivatives and their use as antibacterials ARRAY BIOPHARMA, INC. (US) 2007-11-13 US disclosed
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
EP-0854863-B1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-30 EP disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 US disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 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 (4 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-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS CAPRIN1, NISCH, RPIA CA2 2562/4885CA1 4608/4885SLC1A3 4503/4885
US-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B CA2 450/4885CA1 2060/4885SLC1A3 3395/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B CA2 445/4885CA1 1635/4885SLC1A3 3095/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B CA2 395/4885CA1 1900/4885SLC1A3 3131/4885

“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.