SCHEMBL6466558

SCHEMBL6466558

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.57
S1PR1 P21453 3/20 0.57
ALDH1A1 P00352 1/20 0.52
GPR84 Q9NQS5 4/20 0.50
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
SLC1A3 P43003 1/20 0.47
CA2 P00918 2/20 0.45
MAPK1 P28482 1/20 0.45
CA1 P00915 1/20 0.43
ENPEP Q07075 2/20 0.42
S1PR3 Q99500 2/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
S1PR4 O95977 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
SLC15A1 P46059 1/20 0.41

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
SCHEMBL288356 1.00 S1PR2 (0.57) S1PR2S1PR1ALDH1A1GPR84SLC1A2
SCHEMBL5496400 1.00 S1PR2 (0.57) S1PR2S1PR1ALDH1A1GPR84SLC1A2
SCHEMBL287826 0.93 S1PR2 (0.60) S1PR2S1PR1ALDH1A1GPR84SLC1A2
SCHEMBL626959 0.93 S1PR2 (0.60) S1PR2S1PR1ALDH1A1GPR84SLC1A2
SCHEMBL4411200 0.93 S1PR2 (0.60) S1PR2S1PR1ALDH1A1GPR84SLC1A2
SCHEMBL10804885 0.91 S1PR2 (0.63) S1PR2S1PR1ALDH1A1GPR84S1PR3
SCHEMBL22660994 0.91 S1PR2 (0.63) S1PR2S1PR1ALDH1A1GPR84S1PR3
SCHEMBL5419098 0.91 S1PR2 (0.63) S1PR2S1PR1ALDH1A1GPR84S1PR3
SCHEMBL11437074 0.91 S1PR2 (0.63) S1PR2S1PR1ALDH1A1GPR84S1PR3
SCHEMBL4390623 0.91 S1PR2 (0.63) S1PR2S1PR1ALDH1A1GPR84S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447090-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-09-20 US disclosed
EP-2716642-B1 IMIDAZOPYRIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-07-20 EP disclosed
US-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2014-03-27 US disclosed
US-6903233-B2 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-07 US disclosed
US-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-12-04 US disclosed
EP-1344763-A1 Process for producing optically active 3-halogenocarboxylic acid esters and 3-azide-carboxylic acid esters Takasago International Corporation (JP) 2003-09-17 EP disclosed
EP-0555537-B1 Endothelin antagonists BANYU PHARMA CO LTD (JP) 2000-11-02 EP disclosed
US-5614498-A OLIGOPEPTIDES, BRONCHDILATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP 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-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester HDHD5, APEH, AOC3 S1PR2 4547/4885S1PR1 4528/4885ALDH1A1 374/4885
US-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS GUCY1A1, PDE2A, GUCY1A2 S1PR2 1547/4885S1PR1 1340/4885ALDH1A1 935/4885

“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.