SCHEMBL18988641

SCHEMBL18988641

O=S(=O)(c1ccc(F)cc1)N1CC1CC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
MMP2 P08253 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
PKM P14618 2/20 0.41
HTR7 P34969 2/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKLR P30613 1/20 0.38
HTR1A P08908 1/20 0.37

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
SCHEMBL18988725 0.86 MCOLN3 (0.46) MMP2PKMLMNAL3MBTL1ALDH1A1
SCHEMBL18988636 0.86 HSD11B1 (0.43) MMP2MAPTHSD11B1ALDH1A1
SCHEMBL18988595 0.82 HSD11B1 (0.51) MMP2CYP3A4CYP2C19PKMHSD11B1
SCHEMBL2185769 0.78 CYP3A4 (0.48) TRPA1MMP2CYP3A4CYP2C19PKM
SCHEMBL2185773 0.78 CYP3A4 (0.48) TRPA1MMP2CYP3A4CYP2C19PKM
SCHEMBL7118504 0.77 MAPT (0.52) TRPA1MMP2CYP3A4CYP2C19PKM
SCHEMBL7118507 0.77 MAPT (0.52) TRPA1MMP2CYP3A4CYP2C19PKM
SCHEMBL7127867 0.76 CA1 (0.50) TRPA1PKMHTR7L3MBTL1ALDH1A1
SCHEMBL7127875 0.76 CA1 (0.50) TRPA1PKMHTR7L3MBTL1ALDH1A1
SCHEMBL7116937 0.75 CYP3A4 (0.51) TRPA1CYP3A4CYP2C19HTR7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995043-B2 Method for producing perfluoroalkylated compound RIKEN (JP) 2021-05-04 US disclosed
US-10995043-B2 Method for producing perfluoroalkylated compound RIKEN (JP) 2021-05-04 US disclosed
US-20200277243-A1 METHOD FOR PRODUCING PERFLUOROALKYLATED COMPOUND RIKEN (JP) 2020-09-03 US disclosed
US-20200277243-A1 METHOD FOR PRODUCING PERFLUOROALKYLATED COMPOUND RIKEN (JP) 2020-09-03 US disclosed
EP-3392228-A1 METHOD FOR PRODUCING PERFLUOROALKYLATED COMPOUND RIKEN (JP) 2018-10-24 EP disclosed
WO-2017104589-A1 METHOD FOR PRODUCING PERFLUOROALKYLATED COMPOUND 国立研究開発法人理化学研究所 2017-06-22 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 (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-10995043-B2 Method for producing perfluoroalkylated compound PAOX, PPOX, GPX4 TRPA1 1661/4885MMP2 2346/4885CYP3A4 468/4885
US-20200277243-A1 METHOD FOR PRODUCING PERFLUOROALKYLATED COMPOUND PAOX, PPOX, GPX4 TRPA1 1661/4885MMP2 2346/4885CYP3A4 468/4885

“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.