SCHEMBL3899152

SCHEMBL3899152

OCc1ccc(C(F)(F)F)c(C2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
NUDT1 P36639 1/20 0.41
BACE1 P56817 1/20 0.41
NOTUM Q6P988 3/20 0.40
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2C P28335 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
SSTR5 P35346 1/20 0.36
RBP4 P02753 2/20 0.36
S1PR1 P21453 3/20 0.35
S1PR3 Q99500 3/20 0.35
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
CNR2 P34972 1/20 0.34
AR P10275 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL3909468 0.97 KIF11 (0.44) KIF11NUDT1BACE1NOTUMGAA
SCHEMBL3904760 0.93 KIF11 (0.46) KIF11NOTUMGAATDP1HTR2C
SCHEMBL31195718 0.87 S1PR1 (0.43) KIF11NOTUMS1PR1S1PR3
SCHEMBL1920012 0.87 S1PR1 (0.43) KIF11NOTUMS1PR1S1PR3
SCHEMBL3846473 0.86 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL30418848 0.86 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL2231906 0.84 NOTUM (0.40) NUDT1BACE1NOTUMGAATDP1
SCHEMBL3901604 0.84 S1PR1 (0.41) KIF11NOTUMHTR2CS1PR1S1PR3
SCHEMBL13598353 0.81 NOTUM (0.40) NUDT1BACE1NOTUMGAATDP1
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 3302/4885NUDT1 3189/4885BACE1 2682/4885

“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.