SCHEMBL3901933

SCHEMBL3901933

COC(=O)c1ccc(C(F)(F)F)c(C2CCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.57
RBP4 P02753 3/20 0.55
CFTR P13569 1/20 0.44
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL3910589 0.97 NOTUM (0.57) NOTUMRBP4CFTRCHRNB2CHRNA4
SCHEMBL3901663 0.94 NOTUM (0.60) NOTUMRBP4CFTRCHRNB2CHRNA4
SCHEMBL3912829 0.89 RBP4 (0.58) NOTUMRBP4CFTRCHRNB2CHRNA4
SCHEMBL1918275 0.86 RBP4 (0.58) NOTUMRBP4CFTRSLC6A3P4HB
SCHEMBL21777032 0.85 NOTUM (0.56) NOTUMRBP4CFTRCHRNB2CHRNA4
SCHEMBL1809088 0.85 RBP4 (0.57) NOTUMRBP4CFTRALDH1A1ATM
SCHEMBL3902326 0.83 RBP4 (0.60) NOTUMRBP4CFTRCHRNB2CHRNA4
SCHEMBL20526616 0.78 KDM4E (0.51) CHRNB2CHRNA4ALDH1A1KDM4ELMNA
SCHEMBL16838793 0.78 KIF11 (0.49) NOTUMRBP4CHRNB2CHRNA4SLC6A3
SCHEMBL22074046 0.77 RBP4 (0.55) NOTUMRBP4CFTRCHRNB2CHRNA4

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 2224/4885RBP4 4525/4885CFTR 1567/4885

“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.