SCHEMBL816745

SCHEMBL816745

Nc1cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.37
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9312777 0.94 PDE2A (0.37) PDE2AALDH1A1TSHRCYP3A4TP53
SCHEMBL29985079 0.84 PDE2A (0.32) PDE2A
SCHEMBL15337477 0.84 PDE2A (0.32) PDE2A
SCHEMBL1966425 0.83 PDE2A (0.39) PDE2A
SCHEMBL29455786 0.82 GAA (0.35) PDE2AALDH1A1GAAMAPT
SCHEMBL9889085 0.82 GAA (0.35) PDE2AALDH1A1GAAMAPT
SCHEMBL6864438 0.80 TSHR (0.45) PDE2AALDH1A1TSHRGAAMAPT
SCHEMBL14320101 0.78
SCHEMBL16376521 0.77 ACHE (0.34)
SCHEMBL21588076 0.77 EGLN2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334661-B1 PROCESSES FOR PREPARING POLY(PENTAFLUOROSULFANYL)AROMATIC COMPOUNDS UBE INDUSTRIES (JP) 2017-08-30 EP disclosed
US-8653302-B2 Processes for preparing poly(pentafluorosulfanyl)aromatic compounds UBE INDUSTRIES, LTD. (JP) 2014-02-18 US disclosed
US-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 US disclosed
US-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 US disclosed
US-8049022-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-01 US disclosed
US-8049022-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-01 US disclosed
US-20110166392-A1 Processes for Preparing Poly(Pentafluorosulfanyl)Aromatic Compounds UBE INDUSTRIES, LTD. (JP) 2011-07-07 US disclosed
EP-2334661-A1 PROCESSES FOR PREPARING POLY(PENTAFLUOROSULFANYL)AROMATIC COMPOUNDS Ube Industries, Ltd. (JP) 2011-06-22 EP disclosed
US-20100152081-A1 Fluorosurfactants MERCK PATENT GMBH (DE) 2010-06-17 US disclosed
US-20100152081-A1 Fluorosurfactants MERCK PATENT GMBH (DE) 2010-06-17 US disclosed
WO-2010033930-A1 PROCESSES FOR PREPARING POLY(PENTAFLUOROSULFANYL)AROMATIC COMPOUNDS IM&T RESEARCH, INC. (US) 2010-03-25 WO disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-20090197201-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 US disclosed
US-20090197201-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 US disclosed
WO-2008003446-A2 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2008-01-10 WO disclosed
WO-2008003445-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2008-01-10 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 (5 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-20110166392-A1 Processes for Preparing Poly(Pentafluorosulfanyl)Aromatic Compounds PFAS, PUF60, FES PDE2A 4852/4885ALDH1A1 4300/4885TSHR 1592/4885
US-20090312432-A1 FLUOROSURFACTANTS SGMS2, FASN, SGMS1 PDE2A 3916/4885ALDH1A1 2479/4885TSHR 1160/4885
US-20100152081-A1 Fluorosurfactants CBR3, FPR3, NOX3 PDE2A 3203/4885ALDH1A1 2466/4885TSHR 886/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 PDE2A 3945/4885ALDH1A1 2925/4885TSHR 754/4885
US-20090197201-A1 FLUOROSURFACTANTS CBR3, SCO2, FPR3 PDE2A 3630/4885ALDH1A1 3874/4885TSHR 1047/4885

“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.