SCHEMBL1635377

SCHEMBL1635377

FS(F)(F)(F)(F)c1cccc(I)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 4/20 0.38
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
IDO1 P14902 2/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
APP P05067 1/20 0.32
PDE2A O00408 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
RAB9A P51151 1/20 0.31
HIF1A Q16665 1/20 0.31
METAP2 P50579 1/20 0.31
GALR1 P47211 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
SCHEMBL1966415 0.81 KDM1A (0.48) KDM1AAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL17517026 0.73 PDE2A (0.32) PDE2A
SCHEMBL15108851 0.72 ACHE (0.44) KDM1AAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL4623454 0.71 PDE2A (0.33) PDE2A
SCHEMBL170090 0.71
SCHEMBL25037230 0.70 ALDH1A1 (0.42) KDM1AAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL17768674 0.70 KDM1A (0.41) KDM1AAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL816860 0.70 ACHE (0.52) KDM1AAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL1633970 0.70 CYP3A4 (0.52) KDM1AAKR1C3AKR1C2
SCHEMBL3962 0.70 ALDH1A1 (0.42) KDM1AAKR1C3AKR1C2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376384-B2 Diaryliodonium salt UBE INDUSTRIES, LTD. (JP) 2016-06-28 US disclosed
US-9376384-B2 Diaryliodonium salt UBE INDUSTRIES, LTD. (JP) 2016-06-28 US disclosed
US-20160046566-A1 DIARYLIODONIUM SALT UBE INDUSTRIES, LTD. (JP) 2016-02-18 US disclosed
US-20160046566-A1 DIARYLIODONIUM SALT UBE INDUSTRIES, LTD. (JP) 2016-02-18 US disclosed
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
CN-100579960-C Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates AVENTIS PHARMA GMBH 2010-01-13 CN disclosed
US-20090233943-A9 NEW COMPOUNDS 835 ASTEX THERAPEUTICS LIMITED (GB) 2009-09-17 US disclosed
WO-2008150217-A1 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONE ANALOGS FOR THE INHIBITION OF BETA-SECRETASE ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
US-20080287460-A1 NEW COMPOUNDS 835 ASTEX THERAPEUTICS LIMITED (GB) 2008-11-20 US disclosed
US-20080200553-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AIDS, AND MEDICAMENTS COMPRISING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-08-21 US disclosed
US-7375138-B2 Pentafluorosulfanylbenzoylguanidines, processes for their preparation, their use as medicaments or diagnostic aids, and medicaments comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-05-20 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
CN-1878753-A Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates AVENTIS PHARMA GMBH (DE) 2006-12-13 CN disclosed
CN-1653044-A Pentafluorosulfanylbenzoylguanidines, processes for their preparation, their use as medicaments or diagnostic aids, and medicaments comprising them AVENTIS PHARMA DEUTSHCHLAND GM (DE) 2005-08-10 CN 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-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 (8 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-20160046566-A1 DIARYLIODONIUM SALT AGTR2, KCNA5, AGTR1 KDM1A 1441/4885AKR1C3 597/4885AKR1C2 421/4885
US-20080287460-A1 NEW COMPOUNDS 835 GRIK5, MAPT, PSEN1 KDM1A 2603/4885AKR1C3 2874/4885AKR1C2 2927/4885
US-20080200553-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AIDS, AND MEDICAMENTS COMPRISING THEM TNNI3, TNNT2, SDHB KDM1A 3739/4885AKR1C3 2729/4885AKR1C2 3013/4885
US-20110306670-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AIDS, AND MEDICAMENTS COMPRISING THEM TNNI3, TNNT2, SDHB KDM1A 3739/4885AKR1C3 2729/4885AKR1C2 3013/4885
US-20050148652-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates PFAS, DDT, PNPO KDM1A 2494/4885AKR1C3 589/4885AKR1C2 1040/4885
US-20030216476-A1 Pentafluorosulfanylbenzoylguanidines, processes for their preparation, their use as medicaments or diagnostic aids, and medicaments comprising them TNNI3, TNNT2, SDHB KDM1A 3563/4885AKR1C3 2694/4885AKR1C2 2927/4885
US-20090233943-A9 NEW COMPOUNDS 835 GRIK5, MAPT, PSEN1 KDM1A 2603/4885AKR1C3 2874/4885AKR1C2 2927/4885
US-20080091031-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates PFAS, DDT, PNPO KDM1A 2494/4885AKR1C3 589/4885AKR1C2 1040/4885

“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.