SCHEMBL3909468

SCHEMBL3909468

OCc1ccc(C(F)(F)F)c(C2CCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
NOTUM Q6P988 3/20 0.40
HTR2C P28335 3/20 0.38
NUDT1 P36639 1/20 0.38
BACE1 P56817 1/20 0.38
SSTR5 P35346 1/20 0.36
RBP4 P02753 2/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2B P41595 1/20 0.34
CNR2 P34972 1/20 0.34
AR P10275 1/20 0.34
S1PR1 P21453 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL3899152 0.97 KIF11 (0.44) KIF11NOTUMHTR2CNUDT1BACE1
SCHEMBL3904760 0.93 KIF11 (0.46) KIF11NOTUMHTR2CSSTR5RBP4
SCHEMBL3901604 0.87 S1PR1 (0.41) KIF11NOTUMHTR2CS1PR1
SCHEMBL1920012 0.84 S1PR1 (0.43) KIF11NOTUMS1PR1
SCHEMBL13598353 0.84 NOTUM (0.40) NOTUMHTR2CNUDT1BACE1SSTR5
SCHEMBL31195718 0.84 S1PR1 (0.43) KIF11NOTUMS1PR1
SCHEMBL3846473 0.83 S1PR1 (0.44) S1PR1
SCHEMBL30418848 0.83 S1PR1 (0.44) S1PR1
SCHEMBL2231906 0.81 NOTUM (0.40) NOTUMHTR2CNUDT1BACE1SSTR5
SCHEMBL3910037 0.80 NOTUM (0.44) KIF11NOTUMHTR2CSSTR5RBP4

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 KIF11 3302/4885NOTUM 2224/4885HTR2C 423/4885

“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.