SCHEMBL6095279

SCHEMBL6095279

CN(C)CCOc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 11/20 0.67
CA1 P00915 11/20 0.67
CA2 P00918 11/20 0.67
CA9 Q16790 11/20 0.67
CA7 P43166 6/20 0.67
TSHR P16473 1/20 0.67
IKBKB O14920 1/20 0.59
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
CA4 P22748 5/20 0.55
HRH3 Q9Y5N1 4/20 0.54
LTA4H P09960 1/20 0.53
KCNH2 Q12809 1/20 0.51

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
SCHEMBL3143886 0.83 HRH3 (0.54) CA12CA1CA2CA9CA7
SCHEMBL7008138 0.83 HRH3 (0.54) IKBKBKEAP1NFE2L2HRH3LTA4H
SCHEMBL5971888 0.83 HRH3 (0.54) KEAP1NFE2L2HRH3LTA4H
SCHEMBL3143891 0.81 HRH3 (0.53) KEAP1NFE2L2HRH3LTA4H
SCHEMBL9815651 0.81 CA2 (0.66) CA1CA2CA9CA7TSHR
SCHEMBL5595956 0.80 CA1 (1.00) CA12CA1CA2CA9CA7
SCHEMBL615392 0.80 CA2 (1.00) CA12CA1CA2CA9CA7
SCHEMBL13588801 0.80 HRH3 (0.51) IKBKBKEAP1NFE2L2HRH3LTA4H
SCHEMBL19891669 0.80 CA12 (0.79) CA12CA1CA2CA9CA7
Hydrochloric Acid SCHEMBL9256011 0.79 HRH3 (0.50) CA12CA2CA9KEAP1NFE2L2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385016-B2 Non explosive bis-sulfonyl azides DYNAMIT NOBEL GMBH EXPLOSIVSTOFF-UND SYSTEMTECHNIK (DE) 2019-08-20 US disclosed
US-20180050988-A1 NON EXPLOSIVE BIS-SULFONYL AZIDES DYNAMIT NOBEL GMBH EXPLOSIVSTOFF- UND SYSTEMTECHNIK (DE) 2018-02-22 US disclosed
US-7001917-B2 Pyrazole compounds as anti-inflammatory and analgesic agents WARNER LAMBERT COMPANY LLC (US) 2006-02-21 US disclosed
EP-1495005-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
US-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents HIRANO MISATO (JP) 2004-01-29 US disclosed
WO-2003087061-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 WO 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 (3 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-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents PTGER1, PTGS1, PTGIR CA12 2871/4885CA1 1837/4885CA2 230/4885
US-10385016-B2 Non explosive bis-sulfonyl azides ARSA, MSRB3, NES CA12 3555/4885CA1 2823/4885CA2 1475/4885
US-20180050988-A1 NON EXPLOSIVE BIS-SULFONYL AZIDES ARSA, MSRB3, NES CA12 3519/4885CA1 2828/4885CA2 1444/4885

“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.