SCHEMBL4473443

SCHEMBL4473443

CS(=O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 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
SCHEMBL5492038 0.89 USP2 (0.48) MMP9KDM4EUSP2ALDH1A1LMNA
SCHEMBL7224666 0.87 USP2 (0.50) MMP9KDM4EUSP2ALDH1A1LMNA
SCHEMBL7220587 0.85 USP2 (0.54) MMP9KDM4EUSP2ALDH1A1LMNA
SCHEMBL5671896 0.81 CA2 (0.34) MMP9CA2CA1F2PRSS1
SCHEMBL8729658 0.81 CA2 (0.37) MMP9CA2CA1MMP1MMP2
SCHEMBL2959329 0.81 CA2 (0.37) MMP9CA2CA1MMP1MMP2
SCHEMBL28603425 0.81 CA2 (0.42) CA2CA1
SCHEMBL7672107 0.78 CA2 (0.37) CA2CA1
SCHEMBL22673043 0.78 TSHR (0.54) MMP9KDM4EUSP2ALDH1A1LMNA
SCHEMBL7254414 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11491244-B2 Labeled fluorocarbon agents for positron emission tomography imaging Sunnybrook Research Institute (CA) 2022-11-08 US disclosed
US-20090297454-A1 Perfluoroalkyl-Containing Complexes, Process For Their Production As Well As Their Use SCHIRMER HEIKO 2009-12-03 US disclosed
US-7618957-B2 1-N-(Benzyloxycarbonyl)-1H,1H,2H,2H,4H,4H,5H,5H-3-aza-perfluorotridecylamine; used in NMR and x-ray diagnosis, radiodiagnosis, and radiotherapy, as well as in MRT lymphography and in blood-pool imaging BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-17 US disclosed
US-20070189969-A1 Perfluoroalkyl-containing complexes, process for their production as well as their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-08-16 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-20070189969-A1 Perfluoroalkyl-containing complexes, process for their production as well as their use AFF1, FGB, PF4 MMP9 2634/4885KDM4E 4451/4885USP2 3199/4885
US-20090297454-A1 Perfluoroalkyl-Containing Complexes, Process For Their Production As Well As Their Use AFF1, FGB, PF4 MMP9 2634/4885KDM4E 4451/4885USP2 3199/4885

“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.