SCHEMBL3901422

SCHEMBL3901422

O=C(O)CCCCC(=O)N1CCc2cc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.51
S1PR5 Q9H228 14/20 0.51
S1PR4 O95977 13/20 0.51
S1PR3 Q99500 10/20 0.51
ALDH1A1 P00352 2/20 0.45
CYP2C9 P11712 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOTUM Q6P988 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
SCHEMBL3905075 0.99 S1PR1 (0.50) S1PR1S1PR5S1PR4S1PR3ALDH1A1
SCHEMBL3904425 0.98 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3ALDH1A1
SCHEMBL3906158 0.95 S1PR1 (0.52) S1PR1S1PR5S1PR4S1PR3ALDH1A1
SCHEMBL13598481 0.91 S1PR1 (0.52) S1PR1S1PR5S1PR4S1PR3CYP2C9
Hydrochloric Acid SCHEMBL3901752 0.91 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3CYP2C9
SCHEMBL3898741 0.90 S1PR1 (0.47) S1PR1S1PR5S1PR4S1PR3NOTUM
SCHEMBL3901027 0.90 S1PR1 (0.48) S1PR1S1PR5S1PR4S1PR3ALDH1A1
SCHEMBL3910118 0.90 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3ALDH1A1
SCHEMBL3902470 0.90 S1PR1 (0.46) S1PR1S1PR5S1PR4S1PR3NOTUM
SCHEMBL3903510 0.90 S1PR1 (0.54) S1PR1S1PR5S1PR4S1PR3POLB

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.