SCHEMBL3901935

SCHEMBL3901935

Cc1cc(CO)ccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.51
DAO P14920 1/20 0.48
PTGER4 P35408 2/20 0.39
AR P10275 1/20 0.39
S1PR1 P21453 3/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PDE2A O00408 1/20 0.37
PDK2 Q15119 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP4F2 P78329 1/20 0.35

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
SCHEMBL16953204 0.84 KIF11 (0.47) KIF11ARS1PR1NR1H2NR1H3
SCHEMBL12886693 0.82 PDE2A (0.53) KIF11DAORXRARXRBRXRG
SCHEMBL30368288 0.81 KIF11 (0.56) KIF11DAOARS1PR1RXRA
SCHEMBL1994099 0.81 KIF11 (0.56) KIF11DAOARS1PR1RXRA
SCHEMBL29277330 0.80 DAO (0.48) KIF11DAORXRARXRBRXRG
SCHEMBL15385131 0.80 DAO (0.48) KIF11DAOPDE2A
SCHEMBL13598345 0.80 DAO (0.48) KIF11DAORXRARXRBRXRG
Hydrochloric Acid SCHEMBL23165936 0.78 DAO (0.47) KIF11DAOPDE2A
SCHEMBL4593166 0.78 DAO (0.50) KIF11DAORXRARXRBRXRG
SCHEMBL13256368 0.78 DAO (0.54) KIF11DAOS1PR1PDE2APDK2

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 3302/4885DAO 4060/4885PTGER4 1254/4885

“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.