SCHEMBL1270735

SCHEMBL1270735

O=C(O)c1[nH]c(=O)[nH]c(=O)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.57
THRB P10828 1/20 0.57
DHODH Q02127 13/20 0.42
TYMP P19971 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL12900039 0.82 JAK2 (0.41) JAK2THRBDHODHTYMPLMNA
SCHEMBL1270655 0.78 CYP1A2 (0.39) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL11250095 0.77 JAK2 (0.48) JAK2THRBDHODH
SCHEMBL11245596 0.77 JAK2 (0.48) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL11242987 0.77 JAK2 (0.48) JAK2THRBDHODHTYMP
Water SCHEMBL11246907 0.76 JAK2 (0.47) JAK2THRBDHODHTYMP
SCHEMBL9715507 0.72 JAK2 (1.00) JAK2THRBDHODHTYMPLMNA
SCHEMBL44527 0.72 JAK2 (1.00) JAK2THRBDHODHTYMPLMNA
SCHEMBL22783664 0.72 JAK2 (0.61) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL10629768 0.71 JAK2 (0.96) JAK2THRBDHODHTYMPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445239-A4 ANTI-MALARIAL COMPOSITION AND METHOD OF USE 1992-03-25 EP claimed
EP-0445239-A1 ANTI-MALARIAL COMPOSITION AND METHOD OF USE THE CATHOLIC UNIVERSITY OF AMERICA (US) 1991-09-11 EP claimed
WO-1991000081-A2 ANTI-MALARIAL COMPOSITION AND METHOD OF USE THE CATHOLIC UNIVERSITY OF AMERICA (US) 1991-01-10 WO claimed
EP-1947092-B1 Method for producing nucleic acid base having perfluoroalkyl group TOSOH CORP (JP) 2015-04-15 EP disclosed
CN-101304977-B Nucleic acid base having perfluoroalkyl group and method for producing the same TOSOH CORP 2014-08-13 CN disclosed
US-7884202-B2 Nucleobases are perfluoroalkylated in a one step process with a perfluoroalkyl halide in the presence of a sulfoxide, a peroxide and an iron compound; useful as medicinal drugs, intermediates for medicinal drugs and agricultural chemicals TOSOH CORPORATION (JP) 2011-02-08 US disclosed
US-7884202-B2 Nucleobases are perfluoroalkylated in a one step process with a perfluoroalkyl halide in the presence of a sulfoxide, a peroxide and an iron compound; useful as medicinal drugs, intermediates for medicinal drugs and agricultural chemicals TOSOH CORPORATION (JP) 2011-02-08 US disclosed
US-7884202-B2 Nucleobases are perfluoroalkylated in a one step process with a perfluoroalkyl halide in the presence of a sulfoxide, a peroxide and an iron compound; useful as medicinal drugs, intermediates for medicinal drugs and agricultural chemicals TOSOH CORPORATION (JP) 2011-02-08 US disclosed
US-20090124796-A1 Nucleobase Having Perfluoroalkyl Group and Process for Producing the Same TOSOH CORPORATION (JP) 2009-05-14 US disclosed
EP-1947092-A1 NUCLEIC ACID BASE HAVING PERFLUOROALKYL GROUP AND METHOD FOR PRODUCING THE SAME Tosoh Corporation (JP) 2008-07-23 EP disclosed
EP-1947092-A1 NUCLEIC ACID BASE HAVING PERFLUOROALKYL GROUP AND METHOD FOR PRODUCING THE SAME Tosoh Corporation (JP) 2008-07-23 EP disclosed
US-6159953-A Anti-malarial composition and method of use CATHOLIC UNIVERSITY OF AMERICA (US) 2000-12-12 US disclosed
EP-0445239-A4 ANTI-MALARIAL COMPOSITION AND METHOD OF USE 1992-03-25 EP disclosed
EP-0445239-A1 ANTI-MALARIAL COMPOSITION AND METHOD OF USE THE CATHOLIC UNIVERSITY OF AMERICA (US) 1991-09-11 EP disclosed
WO-1991000081-A2 ANTI-MALARIAL COMPOSITION AND METHOD OF USE THE CATHOLIC UNIVERSITY OF AMERICA (US) 1991-01-10 WO 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-20090124796-A1 Nucleobase Having Perfluoroalkyl Group and Process for Producing the Same PFAS, FPGS, NUDT1 JAK2 3794/4885THRB 2374/4885DHODH 256/4885

“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.