SCHEMBL3908210

SCHEMBL3908210

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.63
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
PDK2 Q15119 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
XDH P47989 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
P4HB P07237 1/20 0.43
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 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
SCHEMBL24214167 0.89 NOTUM (0.61) NOTUMKDM4EALDH1A1PDK2CA12
SCHEMBL23727488 0.88 NOTUM (0.60) NOTUMKDM4EALDH1A1PDK2CA12
SCHEMBL23728047 0.88 NOTUM (0.60) NOTUMKDM4EALDH1A1PDK2CA12
SCHEMBL3903297 0.88 NOTUM (0.59) NOTUMKDM4EALDH1A1PDK2CA12
SCHEMBL2240760 0.86 NOTUM (0.49) NOTUMKDM4EALDH1A1CA12CA1
SCHEMBL1997248 0.82 NOTUM (0.73) NOTUMKDM4EALDH1A1PDK2CA12
SCHEMBL13538014 0.81 AR (0.42) NOTUMPDK2AR
SCHEMBL13220716 0.80 CA1 (0.53) KDM4EALDH1A1CA12CA1CA2
SCHEMBL27682644 0.79 NOTUM (0.60) NOTUMKDM4EALDH1A1PDK2CA12
SCHEMBL20049345 0.79 CA1 (0.49) NOTUMKDM4EALDH1A1CA12CA1

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 2224/4885KDM4E 2795/4885ALDH1A1 1730/4885

“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.