SCHEMBL20995385

SCHEMBL20995385

FC(F)(F)c1ccc(-c2cn(C(F)(F)C(F)(F)F)nn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.47
▸ EPHB4 P54760 2/20 0.44
▸ P2RY14 Q15391 6/20 0.43
▸ TEK Q02763 2/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ KIF11 P52732 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ OPRD1 P41143 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL20995362 0.86 PTGS2 (0.49) PTGS2EPHB4P2RY14TEKSCN5A
SCHEMBL20995378 0.84 CYP19A1 (0.46) PTGS2EPHB4TEKCA12CA9
SCHEMBL20995353 0.83 ALOX5 (0.41) PTGS2P2RY14KIF11
SCHEMBL20995384 0.83 NPC1 (0.44) PTGS2EPHB4TEKCA12CA9
SCHEMBL20995373 0.80 HSP90AA1 (0.52) PTGS2SCN5AHSP90AA1HSP90AB1ABCG2
SCHEMBL20995351 0.77 CYP19A1 (0.42) PTGS2EPHB4TEKCA12CA9
SCHEMBL12413911 0.76 EPHB4 (0.54) PTGS2EPHB4P2RY14TEKSCN5A
SCHEMBL20995347 0.74 FLT3 (0.41) PTGS2EPHB4TEKCA12CA9
SCHEMBL12420376 0.74 PTGS2 (0.65) PTGS2P2RY14CA12CA9KDR
SCHEMBL20995369 0.74 CYP19A1 (0.41) PTGS2EPHB4TEKCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161452-A1 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2019-05-30 — — US claimed
US-10590091-B2 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides Ustav Organicke Chemie A Biochemie AV CR , v.v.i. (CZ) 2020-03-17 — — US disclosed
US-20190161452-A1 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2019-05-30 — — US 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-10590091-B2 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides CYP2F1, PRXL2A, CRBN PTGS2 3378/4885EPHB4 2987/4885P2RY14 248/4885
US-20190161452-A1 Process for the preparation of azidoperfluoroalkanes and N-polyfluoroalkyl azides CYP2F1, PRXL2A, CRBN PTGS2 3378/4885EPHB4 2987/4885P2RY14 248/4885

“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.

Send feedback