SCHEMBL1633788

SCHEMBL1633788

O=C1c2ccccc2C(=O)N1c1ccc(NO)c(S(F)(F)(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SCN2A Q99250 3/20 0.43
PIM3 Q86V86 1/20 0.43
HIPK4 Q8NE63 1/20 0.43
GRM1 Q13255 4/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GRM4 Q14833 1/20 0.42
NR1H3 Q13133 2/20 0.42
SIRT6 Q8N6T7 1/20 0.41
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL1634308 0.78 KMT2A (0.49) MEN1KMT2ASCN2APIM3HIPK4
SCHEMBL1633789 0.74 MEN1 (0.45) MEN1KMT2ASCN2APIM3HIPK4
SCHEMBL1635525 0.73 SCN2A (0.54) MEN1KMT2ASCN2APIM3HIPK4
SCHEMBL19667872 0.70 KMT2A (0.58) MEN1KMT2ASCN2ACA9CA12
SCHEMBL1634168 0.69 NR1H3 (0.53) MEN1KMT2ASCN2APIM3HIPK4
SCHEMBL4649471 0.68 KMT2A (0.78) MEN1KMT2ASCN2ACA9CA12
SCHEMBL725608 0.66 NR1H3 (0.67) MEN1KMT2ASCN2APIM3HIPK4
SCHEMBL19667878 0.66 POLB (0.50) MEN1KMT2ANR1H3POLB
SCHEMBL7360730 0.66 SCN2A (0.62) MEN1KMT2ASCN2APIM3HIPK4
SCHEMBL21585233 0.64 KMT2A (0.59) MEN1KMT2ASCN2ACA9CA12

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 10 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-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-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-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-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-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-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-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

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-20050148652-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates PFAS, DDT, PNPO MEN1 2796/4885KMT2A 3620/4885SCN2A 3950/4885
US-20080091031-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates PFAS, DDT, PNPO MEN1 2796/4885KMT2A 3620/4885SCN2A 3950/4885

“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.