SCHEMBL3900698

SCHEMBL3900698

COc1c(OCc2cc(-c3ccccc3)c(C(F)(F)F)s2)ccc2c1CCN2C(=O)CNCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.47
S1PR5 Q9H228 13/20 0.47
S1PR4 O95977 12/20 0.47
S1PR3 Q99500 9/20 0.44
PDCD1 Q15116 6/20 0.39
CD274 Q9NZQ7 6/20 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
SCHEMBL3902914 0.91 S1PR1 (0.47) S1PR1S1PR5S1PR4S1PR3PDCD1
SCHEMBL3899114 0.90 S1PR1 (0.46) S1PR1S1PR5S1PR4S1PR3PDCD1
Hydrochloric Acid SCHEMBL4416508 0.90 S1PR1 (0.46) S1PR1S1PR5S1PR4S1PR3PDCD1
SCHEMBL3902763 0.83 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3PDCD1
SCHEMBL13598591 0.83 S1PR1 (0.48) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3912963 0.82 S1PR1 (0.48) S1PR1S1PR5S1PR4S1PR3
Hydrochloric Acid SCHEMBL3912875 0.82 S1PR1 (0.48) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3901757 0.79 S1PR1 (0.43) S1PR1S1PR5S1PR4S1PR3PDCD1
SCHEMBL3905106 0.78 S1PR1 (0.47) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3901027 0.78 S1PR1 (0.48) S1PR1S1PR5S1PR4S1PR3

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.