SCHEMBL3901043

SCHEMBL3901043

CC(C)(C)OC(=O)N1CCOc2cc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.50
S1PR5 Q9H228 13/20 0.50
S1PR4 O95977 12/20 0.50
S1PR3 Q99500 9/20 0.50
USP30 Q70CQ3 1/20 0.46
DGAT1 O75907 1/20 0.38
GRM5 P41594 2/20 0.37
PLK1 P53350 1/20 0.36
ESR1 P03372 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL3901354 0.86 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3USP30
Hydrochloric Acid SCHEMBL3903871 0.86 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3USP30
SCHEMBL3909549 0.86 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3MAPT
SCHEMBL3905173 0.85 S1PR1 (0.43) S1PR1S1PR5S1PR4S1PR3USP30
SCHEMBL3905177 0.85 S1PR1 (0.43) S1PR1S1PR5S1PR4S1PR3USP30
SCHEMBL3900600 0.85 S1PR1 (0.48) S1PR1S1PR5S1PR4S1PR3MAPT
SCHEMBL3901780 0.84 S1PR1 (0.42) S1PR1S1PR5S1PR4S1PR3USP30
SCHEMBL13598225 0.83 S1PR1 (0.48) S1PR1S1PR5S1PR4S1PR3USP30
Hydrochloric Acid SCHEMBL3908179 0.82 S1PR1 (0.47) S1PR1S1PR5S1PR4S1PR3USP30
Hydrochloric Acid SCHEMBL3908183 0.82 S1PR1 (0.47) S1PR1S1PR5S1PR4S1PR3USP30

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.