SCHEMBL1634473

SCHEMBL1634473

CC(=O)Nc1cc(S(F)(F)(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ HTT P42858 2/20 0.47
▸ PDE7A Q13946 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GALR2 O43603 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ PKM P14618 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ALDH3A1 P30838 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL29643317 0.88 MAPT (0.59) NPSR1MAPTHTTPDE7AKMT2A
SCHEMBL8031368 0.88 MAPT (0.59) NPSR1MAPTHTTPDE7AKMT2A
SCHEMBL4908494 0.80 ALDH1A1 (0.54) NPSR1MAPTHTTPDE7AKMT2A
SCHEMBL11215556 0.78 NPSR1 (0.62) NPSR1MAPTHTTPDE7AKMT2A
SCHEMBL22535975 0.78 CYP3A4 (0.55) NPSR1MAPTHTTPDE7AKMT2A
SCHEMBL10790188 0.78 HTT (0.68) NPSR1MAPTHTTPDE7AKMT2A
SCHEMBL1635038 0.78 MAPT (0.50) NPSR1MAPTHTTPDE7AKMT2A
SCHEMBL6437317 0.77 NPSR1 (0.52) NPSR1MAPTHTTPDE7AKMT2A
SCHEMBL1841366 0.77 NPSR1 (0.52) NPSR1MAPTHTTPDE7AKMT2A
SCHEMBL1551583 0.77 PDE7A (0.64) NPSR1MAPTHTTPDE7AALDH1A1

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 4 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-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-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 NPSR1 494/4885MAPT 1519/4885HTT 2956/4885
US-20080091031-A1 Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates PFAS, DDT, PNPO NPSR1 494/4885MAPT 1519/4885HTT 2956/4885

“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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