SCHEMBL3914939

SCHEMBL3914939

O=C(O)C[C@H](O)C(=O)N1CCc2cc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.50
S1PR5 Q9H228 13/20 0.50
S1PR4 O95977 12/20 0.50
S1PR3 Q99500 9/20 0.50
CD274 Q9NZQ7 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
ROCK2 O75116 1/20 0.36
FFAR1 O14842 1/20 0.36
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3914943 1.00 S1PR1 (0.50) S1PR1S1PR5S1PR4S1PR3CD274
SCHEMBL3900999 0.91 S1PR1 (0.49) S1PR1S1PR5S1PR4S1PR3CD274
SCHEMBL3900987 0.91 S1PR1 (0.49) S1PR1S1PR5S1PR4S1PR3CD274
SCHEMBL13598227 0.91 S1PR1 (0.49) S1PR1S1PR5S1PR4S1PR3CD274
Hydrochloric Acid SCHEMBL3900795 0.90 S1PR1 (0.49) S1PR1S1PR5S1PR4S1PR3CD274
Hydrochloric Acid SCHEMBL3900789 0.90 S1PR1 (0.49) S1PR1S1PR5S1PR4S1PR3CD274
SCHEMBL3904357 0.90 S1PR1 (0.48) S1PR1S1PR5S1PR4S1PR3CD274
SCHEMBL13598265 0.90 S1PR1 (0.48) S1PR1S1PR5S1PR4S1PR3CD274
SCHEMBL13958167 0.90 S1PR1 (0.48) S1PR1S1PR5S1PR4S1PR3CD274
SCHEMBL3900376 0.89 S1PR1 (0.47) S1PR1S1PR5S1PR4S1PR3CD274

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.