SCHEMBL3901665

SCHEMBL3901665

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.52
S1PR1 P21453 14/20 0.48
S1PR5 Q9H228 13/20 0.48
S1PR4 O95977 12/20 0.48
S1PR3 Q99500 9/20 0.48
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3898741 0.95 S1PR1 (0.47) NOTUMS1PR1S1PR5S1PR4S1PR3
SCHEMBL3904326 0.95 S1PR1 (0.47) NOTUMS1PR1S1PR5S1PR4S1PR3
SCHEMBL3902470 0.95 S1PR1 (0.46) NOTUMS1PR1S1PR5S1PR4S1PR3
SCHEMBL13957607 0.92 NOTUM (0.50) NOTUMS1PR1S1PR5S1PR4S1PR3
SCHEMBL3897501 0.91 S1PR1 (0.45) NOTUMS1PR1S1PR5S1PR4S1PR3
SCHEMBL3899211 0.91 S1PR1 (0.45) NOTUMS1PR1S1PR5S1PR4S1PR3
SCHEMBL3906158 0.90 S1PR1 (0.52) NOTUMS1PR1S1PR5S1PR4S1PR3
SCHEMBL3905073 0.90 S1PR1 (0.46) NOTUMS1PR1S1PR5S1PR4S1PR3
SCHEMBL13598485 0.90 S1PR1 (0.46) NOTUMS1PR1S1PR5S1PR4S1PR3
SCHEMBL3898710 0.90 S1PR1 (0.43) NOTUMS1PR1S1PR5S1PR4S1PR3

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 NOTUM 2224/4885S1PR1 3/4885S1PR5 4/4885

“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.