Fluoride

Fluoride

SCHEMBL1633903

Cc1cccc(SC#N)c1.F.F.F.F.F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.44
MAPT P10636 6/20 0.41
ALDH1A1 P00352 6/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GFER P55789 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NOTUM Q6P988 1/20 0.34
AR P10275 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MGLL Q99685 1/20 0.33
IDO1 P14902 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 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
SCHEMBL3392990 0.98 ACHE (0.46) ACHEMAPTALDH1A1POLBKDM4E
SCHEMBL28183847 0.82 ALDH1A1 (0.44) MAPTALDH1A1POLBKDM4EGFER
SCHEMBL28958866 0.78 ACHE (0.42) ACHEMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL16707585 0.75 ALDH1A1 (0.46) ACHEMAPTALDH1A1POLBGFER
SCHEMBL23554066 0.72 DDB1 (0.45) MAPTALDH1A1POLBL3MBTL1DDB1
SCHEMBL14409994 0.72 ALDH1A1 (0.38) MAPTALDH1A1POLBGFERHTT
SCHEMBL31408760 0.72 CYP3A4 (0.46) MAPTALDH1A1POLBKDM4EMAPK1
SCHEMBL6245615 0.72 KMT2A (0.39) MAPTALDH1A1POLBKDM4EL3MBTL1
SCHEMBL13764455 0.72 ALDH1A1 (0.38) MAPTALDH1A1POLBKDM4EGFER
SCHEMBL11056267 0.72 CYP3A4 (0.46) MAPTALDH1A1POLBKDM4EMAPK1

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
US-7932416-B2 Prepared by electrophilic aromatic substitution via halogenation, chlorosulfonation or nitration of a pentafluorosulfanylbenzene; 2-Methyl-5-nitro-4-pentafluorosulfuranylbenzoic acid; for liquid crystals, polymers, pesticides, herbicides, fungicides, nematocides, parasiticides, insecticides, acaricides SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-04-26 US disclosed
US-7659429-B2 Process for preparing 4-pentafluorosulfanylbenzoylguanidines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-02-09 US disclosed
US-7622611-B2 Pentafluorosulfanylbenzoylguanidines, process for their preparation, use as a medicament or diagnostic aid, and medicament comprising same SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-11-24 US disclosed
US-20090036704-A1 Process for Preparing 4-Pentafluorosulfanylbenzoylguanidines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-02-05 US disclosed
US-7449594-B2 Process for preparing 4-pentafluorosulfanylbenzoylguanidines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-11 US disclosed
US-20080146673-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESS FOR THEIR PREPARATION, USE AS A MEDICAMENT OR DIAGNOSTIC AID, AND MEDICAMENT COMPRISING SAME SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-06-19 US disclosed
US-20080091031-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates SANOFI-AVENTIS DEUTSCHLAND GMBH (FR) 2008-04-17 US disclosed
US-7317124-B2 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
US-20070106094-A1 Process For Preparing 4-Pentafluorosulfanylbenzoylguanidines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-10 US disclosed
US-7126026-B2 Process for preparing 4-pentafluorosulfanylbenzoylguanidines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-10-24 US disclosed
US-20050148652-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-07-07 US disclosed
US-20050131070-A1 Process for preparing 4-pentafluorosulfanylbenzoylguanidines AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-16 US disclosed
US-20050124666-A1 Pentafluorosulfanylbenzoylguanidines, process for their preparation, use as a medicament or diagnostic aid, and medicament comprising same AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-09 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 (7 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-20050148652-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates PFAS, DDT, PNPO ACHE 15/4885MAPT 1519/4885ALDH1A1 793/4885
US-20080146673-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESS FOR THEIR PREPARATION, USE AS A MEDICAMENT OR DIAGNOSTIC AID, AND MEDICAMENT COMPRISING SAME TNNI3, TNNT2, FABP3 ACHE 591/4885MAPT 4877/4885ALDH1A1 172/4885
US-20090036704-A1 Process for Preparing 4-Pentafluorosulfanylbenzoylguanidines NHERF1, SLC9A1, SLC5A1 ACHE 3326/4885MAPT 4785/4885ALDH1A1 512/4885
US-20050131070-A1 Process for preparing 4-pentafluorosulfanylbenzoylguanidines NHERF1, SLC9A1, SLC5A1 ACHE 3326/4885MAPT 4785/4885ALDH1A1 512/4885
US-20070106094-A1 Process For Preparing 4-Pentafluorosulfanylbenzoylguanidines PAH, NCEH1, PNMT ACHE 1758/4885MAPT 4482/4885ALDH1A1 430/4885
US-20080091031-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates PFAS, DDT, PNPO ACHE 15/4885MAPT 1519/4885ALDH1A1 793/4885
US-20050124666-A1 Pentafluorosulfanylbenzoylguanidines, process for their preparation, use as a medicament or diagnostic aid, and medicament comprising same TNNI3, TNNT2, FABP3 ACHE 591/4885MAPT 4877/4885ALDH1A1 172/4885

“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.