SCHEMBL3910064

SCHEMBL3910064

CCN(CCC(=O)O)CC(=O)N1CCc2cc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.46
S1PR5 Q9H228 13/20 0.46
S1PR4 O95977 12/20 0.46
S1PR3 Q99500 9/20 0.46
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.37

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
SCHEMBL3898710 0.93 S1PR1 (0.43) S1PR1S1PR5S1PR4S1PR3GAA
SCHEMBL3901047 0.92 S1PR1 (0.47) S1PR1S1PR5S1PR4S1PR3GAA
Hydrochloric Acid SCHEMBL3898863 0.91 S1PR1 (0.47) S1PR1S1PR5S1PR4S1PR3GAA
SCHEMBL3902934 0.90 S1PR1 (0.46) S1PR1S1PR5S1PR4S1PR3GAA
SCHEMBL13598486 0.88 S1PR1 (0.50) S1PR1S1PR5S1PR4S1PR3MAPT
SCHEMBL3900995 0.88 S1PR1 (0.48) S1PR1S1PR5S1PR4S1PR3GAA
SCHEMBL3906158 0.87 S1PR1 (0.52) S1PR1S1PR5S1PR4S1PR3GAA
SCHEMBL3901422 0.86 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3GAA
SCHEMBL3904425 0.86 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3MAPT
SCHEMBL3903510 0.86 S1PR1 (0.54) S1PR1S1PR5S1PR4S1PR3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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 (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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 S1PR1 3/4885S1PR5 4/4885S1PR4 6/4885

“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.