SCHEMBL1270636

SCHEMBL1270636

Cn1cc(C(F)(F)F)c(=O)n(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 5/20 0.37
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL17035909 1.00 ATM (0.39) ATMLMNATSHRHTTSMN1; SMN2
SCHEMBL17035904 0.86 ATM (0.41) ATMLMNATSHRHTTSMN1; SMN2
SCHEMBL9618709 0.81 ATM (0.36) ATMLMNATSHRHTTSMN1; SMN2
SCHEMBL12766925 0.81 LMNA (0.40) ATMLMNATSHRHTTSMN1; SMN2
SCHEMBL30668132 0.80 ATM (0.35) ATMLMNATSHRHTTSMN1; SMN2
SCHEMBL9465457 0.73 ATM (0.34) ATMLMNAALDH1A1
SCHEMBL3189250 0.71 TSHR (0.44) ATMLMNATSHRHTTSMN1; SMN2
SCHEMBL21955061 0.71 BRD4 (0.32)
SCHEMBL22016874 0.69 KDM5B (0.34)
SCHEMBL22016201 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150592-A2 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D.E. SHAW RESEARCH, LLC (US) 2023-08-10 WO disclosed
US-20210032184-A1 RADIOLABELING AGENTS, METHODS OF MAKING, AND METHODS OF USE THEREOF THE US SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2021-02-04 US disclosed
US-20190270689-A1 Radiolabeling Agents, Methods of Making, and Methods of Use Thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2019-09-05 US disclosed
US-20150239796-A1 ONE POT SYNTHESIS OF 18F LABELEDTRIFLUOROMETHYLATED COMPOUNDS WITH DIFLUORO(IODO)METHANE UNIVERSITY OF OSLO (NO) 2015-08-27 US disclosed
EP-1947092-B1 Method for producing nucleic acid base having perfluoroalkyl group TOSOH CORP (JP) 2015-04-15 EP disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20190270689-A1 Radiolabeling Agents, Methods of Making, and Methods of Use Thereof PFAS, TMEM14C, FLI1 ATM 2222/4885LMNA 3491/4885TSHR 547/4885
US-20210032184-A1 RADIOLABELING AGENTS, METHODS OF MAKING, AND METHODS OF USE THEREOF TMEM14C, PFAS, FLI1 ATM 2252/4885LMNA 3591/4885TSHR 522/4885
US-20090124796-A1 Nucleobase Having Perfluoroalkyl Group and Process for Producing the Same PFAS, FPGS, NUDT1 ATM 1859/4885LMNA 2811/4885TSHR 475/4885
US-20150239796-A1 ONE POT SYNTHESIS OF 18F LABELEDTRIFLUOROMETHYLATED COMPOUNDS WITH DIFLUORO(IODO)METHANE FLI1, AFF1, CYP2F1 ATM 2241/4885LMNA 4820/4885TSHR 454/4885

“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.