SCHEMBL2687010

SCHEMBL2687010

CC(C)(C)OC(=O)NCCc1cn(C(F)(F)C(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
GFER P55789 1/20 0.40
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
PDK2 Q15119 1/20 0.36
SCN9A Q15858 1/20 0.36
NQO2 P16083 1/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
NAMPT P43490 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 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
SCHEMBL2084230 0.79 ALDH1A1 (0.48) ALDH1A1GFERHTTNPSR1MEN1
SCHEMBL28861530 0.77 CPB2 (0.45) ALDH1A1GFERHTTNPSR1MEN1
SCHEMBL5450093 0.77 ALDH1A1 (0.43) ALDH1A1GFERHTTNPSR1MEN1
SCHEMBL2328448 0.76 ALDH1A1 (0.44) ALDH1A1GFERHTTNPSR1SCN9A
SCHEMBL29357980 0.72 SIRT2 (0.45) ALDH1A1NPSR1
SCHEMBL7875656 0.70 MAPT (0.45) ALDH1A1GFERHTTNPSR1GAA
SCHEMBL2083950 0.68 ALDH1A1 (0.50) ALDH1A1GFERHTTNPSR1MEN1
SCHEMBL4424813 0.67 MEN1 (0.52) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL28899641 0.67 HTT (0.44) ALDH1A1GFERHTTNPSR1MEN1
SCHEMBL1568982 0.67 CPB2 (0.41) ALDH1A1GFERHTTNPSR1STK17B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637601-B2 Fluorine-containing polymer having heteroaromatic ring DAIKIN INDUSTRIES, LTD. (JP) 2014-01-28 US disclosed
EP-1983008-B1 FLUORINE-CONTAINING POLYMER CONTAINING HETEROAROMATIC RING DAIKIN IND LTD (JP) 2012-12-26 EP disclosed
US-20120271005-A1 FLUORINE-CONTAINING POLYMER HAVING HETEROAROMATIC RING DAIKIN INDUSTRIES, LTD. (JP) 2012-10-25 US disclosed
US-8252944-B2 Process for preparing heteroaromatic ring compound having N-Rf group DAIKIN INDUSTRIES, LTD. (JP) 2012-08-28 US disclosed
US-8236887-B2 Fluorine-containing polymer having heteroaromatic ring DAIKIN INDUSTRIES, LTD. (JP) 2012-08-07 US disclosed
US-8212053-B2 Process for preparing heteroaromatic ring compound having N-Rf group DAIKIN INDUSTRIES, LTD. (JP) 2012-07-03 US disclosed
US-20120116097-A1 PROCESS FOR PREPARING HETEROAROMATIC RING COMPOUND HAVING N-Rf GROUP DAIKIN INDUSTRIES, LTD. (JP) 2012-05-10 US disclosed
US-20100222598-A1 PROCESS FOR PREPARING HETEROAROMATIC RING COMPOUND HAVING N-Rf GROUP DAIKIN INDUSTRIES, LTD. (JP) 2010-09-02 US disclosed
US-20090105400-A1 Imidazolium side chains for example; for example polymers based on 1-methyl-3-(2H,9H,9H-perfluoro-3,6-dioxa-5-methyl-8-nonenyl)-imidazolium trifluoromethanesulfonate; polymer electrolytes for fuel cell, secondary battery, capacitor, dye-sensitized solar cell and electrochromic device DAIKIN INDUSTRIES, LTD. (JP) 2009-04-23 US disclosed
EP-1983008-A1 FLUORINE-CONTAINING POLYMER CONTAINING HETEROAROMATIC RING Daikin Industries, Ltd. (JP) 2008-10-22 EP disclosed
EP-1975157-A1 METHOD FOR PRODUCTION OF HETEROAROMATIC RING COMPOUND HAVING N-Rf GROUP Daikin Industries, Ltd. (JP) 2008-10-01 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 (2 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-20100222598-A1 PROCESS FOR PREPARING HETEROAROMATIC RING COMPOUND HAVING N-Rf GROUP CYP2F1, AFF1, AFF2 ALDH1A1 2332/4885GFER 118/4885HTT 1291/4885
US-20120116097-A1 PROCESS FOR PREPARING HETEROAROMATIC RING COMPOUND HAVING N-Rf GROUP CYP2F1, AFF1, AFF2 ALDH1A1 2332/4885GFER 118/4885HTT 1291/4885

“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.