SCHEMBL4902507

SCHEMBL4902507

CCCCC(N)CC(N)=O.[LiH].[LiH]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
ALDH1A1 P00352 1/20 0.41
S1PR2 O95136 6/20 0.40
S1PR1 P21453 6/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR4 O95977 4/20 0.40
DPP7 Q9UHL4 2/20 0.40
SLC15A1 P46059 1/20 0.40
MAPK1 P28482 1/20 0.39
DPP4 P27487 1/20 0.39
DPP9 Q86TI2 1/20 0.39

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 0.98 CA2 (0.48) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL6807748 0.98 CA2 (0.48) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL6802942 0.89 S1PR2 (0.52) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL8186793 0.89 S1PR2 (0.52) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL28617729 0.89 S1PR2 (0.52) ALDH1A1S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL6807996 0.88 S1PR2 (0.50) ALDH1A1S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL6797823 0.88 S1PR2 (0.50) ALDH1A1S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL6802283 0.88 S1PR2 (0.50) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL5206524 0.84
SCHEMBL288356 0.80 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318878-A1 Antibacterial Agents RANBAXY LABORATRIES LIMITED (IN) 2008-12-25 US disclosed
EP-1812455-A2 ERYTHROMYCIN A DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2007-08-01 EP disclosed
WO-2006035301-A2 ERYTHROMYCIN A DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 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 (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-20080318878-A1 Antibacterial Agents MLX, MGAM, CAT CA2 1759/4885CA1 1914/4885SLC1A3 4668/4885

“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.