SCHEMBL1633725

SCHEMBL1633725

Cc1cc(S(F)(F)(F)(F)F)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRB P28702 2/20 0.46
▸ RXRA P19793 1/20 0.46
▸ PTGS2 P35354 5/20 0.43
▸ AKR1C3 P42330 4/20 0.43
▸ AKR1C2 P52895 4/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ TAS2R14 Q9NYV8 1/20 0.43
▸ RARB P10826 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MYC P01106 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38

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
SCHEMBL2348838 0.86 PTGS2 (0.44) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL16914511 0.78 CA1 (0.55) PTGS2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL26979278 0.78 AKR1C2 (0.44) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL22628276 0.78 AKR1C2 (0.44) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL23141189 0.77 PTGS2 (0.43) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL1194182 0.77 ALDH1A1 (0.53) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL21814272 0.77 KEAP1 (0.58) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL29377565 0.77 ALDH1A1 (0.53) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL2342293 0.77 TSHR (0.57) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL15123097 0.77 ALDH1A1 (0.49) PTGS2AKR1C3AKR1C2PTGS1TAS2R14

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404893-B2 Pentafluorosulfanylbenzoylguanidines, processes for their preparation, their use as medicaments or diagnostic aids, and medicaments comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-03-26 — — US disclosed
US-20110306670-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AIDS, AND MEDICAMENTS COMPRISING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-12-15 — — US disclosed
US-8008352-B2 N-[2-Chloro-4-pentafluorosulfanylbenzoyl]guanidine; ischemia, reperfusion, arrythmia angina pectoris; inhibit the cellular sodium-proton antiporter (Na+/H+ exchanger, NHE); stability, longer half-life in vivo, high bioavailability SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-08-30 — — US disclosed
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-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-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-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-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
EP-1685096-B1 PENTAFLUOROSULFANYL BENZOYLGUANIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AGENTS AND MEDICAMENT CONTAINING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2007-07-25 — — EP disclosed
US-20070106094-A1 Process For Preparing 4-Pentafluorosulfanylbenzoylguanidines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-10 — — US disclosed
US-20070106094-A1 Process For Preparing 4-Pentafluorosulfanylbenzoylguanidines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-10 — — 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
US-20030216476-A1 Pentafluorosulfanylbenzoylguanidines, processes for their preparation, their use as medicaments or diagnostic aids, and medicaments comprising them AVENTIS PHARMA DEUTSHCHLAND GMBH (DE) 2003-11-20 — — 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-20110306670-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AIDS, AND MEDICAMENTS COMPRISING THEM TNNI3, TNNT2, SDHB RXRB 2805/4885RXRA 3216/4885PTGS2 789/4885
US-20050148652-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates PFAS, DDT, PNPO RXRB 222/4885RXRA 725/4885PTGS2 3963/4885
US-20090036704-A1 Process for Preparing 4-Pentafluorosulfanylbenzoylguanidines NHERF1, SLC9A1, SLC5A1 RXRB 4090/4885RXRA 4214/4885PTGS2 2027/4885
US-20050131070-A1 Process for preparing 4-pentafluorosulfanylbenzoylguanidines NHERF1, SLC9A1, SLC5A1 RXRB 4090/4885RXRA 4214/4885PTGS2 2027/4885
US-20030216476-A1 Pentafluorosulfanylbenzoylguanidines, processes for their preparation, their use as medicaments or diagnostic aids, and medicaments comprising them TNNI3, TNNT2, SDHB RXRB 2936/4885RXRA 3282/4885PTGS2 696/4885
US-20070106094-A1 Process For Preparing 4-Pentafluorosulfanylbenzoylguanidines PAH, NCEH1, PNMT RXRB 3793/4885RXRA 4033/4885PTGS2 2493/4885
US-20050124666-A1 Pentafluorosulfanylbenzoylguanidines, process for their preparation, use as a medicament or diagnostic aid, and medicament comprising same TNNI3, TNNT2, FABP3 RXRB 2390/4885RXRA 2496/4885PTGS2 720/4885

“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.

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