SCHEMBL3898698

SCHEMBL3898698

CCCc1ccc(C(=O)OC)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.56
EPHX2 P34913 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
P4HB P07237 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL3902837 0.89 NOTUM (0.60) NOTUMEPHX2L3MBTL1ATMP4HB
SCHEMBL27682643 0.87 NOTUM (0.58) NOTUMEPHX2L3MBTL1P4HBKDM4E
SCHEMBL29244637 0.86 NOTUM (0.60) NOTUMEPHX2L3MBTL1ATMP4HB
SCHEMBL1676672 0.84 NOTUM (0.61) NOTUMEPHX2L3MBTL1ATMP4HB
SCHEMBL29244602 0.84 NOTUM (0.57) NOTUMEPHX2L3MBTL1ATMP4HB
SCHEMBL16380772 0.84 NOTUM (0.57) NOTUMEPHX2L3MBTL1ATMP4HB
SCHEMBL4657360 0.82 NOTUM (0.56) NOTUMEPHX2L3MBTL1P4HBKDM4E
Phosphine SCHEMBL28019024 0.82 NOTUM (0.60) NOTUMEPHX2L3MBTL1ATMP4HB
SCHEMBL1806648 0.81 NOTUM (0.55) NOTUMEPHX2L3MBTL1P4HBKDM4E
SCHEMBL3936831 0.81 NOTUM (0.55) NOTUMEPHX2L3MBTL1MEN1KMT2A

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 2224/4885EPHX2 1297/4885L3MBTL1 1651/4885

“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.