SCHEMBL1635602

SCHEMBL1635602

O=C1c2ccccc2C(=O)N1c1cc(S(F)(F)(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
SCN2A Q99250 2/20 0.43
RECQL P46063 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
NPC1 O15118 3/20 0.39
POLB P06746 2/20 0.39
MASP2 O00187 1/20 0.39
F2 P00734 1/20 0.39
CA12 O43570 1/20 0.39
S1PR4 O95977 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
S1PR1 P21453 1/20 0.39
CCR6 P51684 1/20 0.39

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
SCHEMBL2891199 0.81 ATM (0.49) LMNAESR1ESR2SCN2ARECQL
SCHEMBL5846779 0.77 LMNA (0.61) LMNAESR1ESR2SCN2ARECQL
SCHEMBL1635525 0.75 SCN2A (0.54) LMNASCN2ACA2CA9MEN1
SCHEMBL2891317 0.74 LPAR3 (0.48) LMNAESR1ESR2SCN2ARECQL
SCHEMBL11305617 0.72 ESR1 (0.57) LMNAESR1ESR2SCN2ARECQL
SCHEMBL11000006 0.72 ESR1 (0.47) LMNAESR1ESR2SCN2ARECQL
SCHEMBL4198055 0.72 LMNA (0.56) LMNAESR1ESR2SCN2ARECQL
SCHEMBL16655162 0.70 ESR1 (0.57) LMNAESR1ESR2SCN2ARECQL
SCHEMBL11863055 0.70 ESR1 (0.57) LMNAESR1ESR2SCN2AMEN1
SCHEMBL5579665 0.70 ESR1 (0.83) LMNAESR1ESR2SCN2ARECQL

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-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-05-12 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-7759366-B2 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use SANOFI-AVENTIS (FR) 2010-07-20 US disclosed
US-20090215728-A1 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use SANOFI-AVENTIS (FR) 2009-08-27 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-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 (4 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 LMNA 4572/4885ESR1 3689/4885ESR2 4768/4885
US-20090215728-A1 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use GPR119, GIPR, LIPC LMNA 815/4885ESR1 2311/4885ESR2 1523/4885
US-20080091031-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates PFAS, DDT, PNPO LMNA 4572/4885ESR1 3689/4885ESR2 4768/4885
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof GIPR, PGC, DDC LMNA 1453/4885ESR1 1988/4885ESR2 1787/4885

“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.