SCHEMBL3908063

SCHEMBL3908063

CCCc1ccc(CO)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
S1PR1 P21453 5/20 0.39
AR P10275 3/20 0.36
VDR P11473 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALOX5 P09917 1/20 0.34
PDK2 Q15119 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HIF1A Q16665 1/20 0.33
IDO1 P14902 1/20 0.33
AOC3 Q16853 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL12107918 0.87 CNR1 (0.41) S1PR1ARCNR1CNR2ALOX5
SCHEMBL12114208 0.86 S1PR1 (0.37) S1PR1ARPDK2RXRARXRB
SCHEMBL3903466 0.86 KIF11 (0.45) KIF11S1PR1ARPDK2RXRA
SCHEMBL3898701 0.83 S1PR1 (0.36) S1PR1ARPDK2RXRARXRB
SCHEMBL23865166 0.83 LOXL2 (0.39) S1PR1ARIDO1
SCHEMBL3904394 0.78 PDE3B (0.42) KIF11S1PR1ARRXRARXRB
SCHEMBL9747637 0.77 CNR1 (0.41) VDRCNR1CNR2ALOX5LMNA
SCHEMBL13349970 0.77 DAO (0.51) ARIDO1PPARG
SCHEMBL16952436 0.77 CYP4F2 (0.41) KIF11S1PR1VDRCNR1CNR2
SCHEMBL14381880 0.77 AR (0.37) S1PR1ARIDO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP 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
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 KIF11 3302/4885S1PR1 3/4885AR 611/4885

“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.