SCHEMBL4263174

SCHEMBL4263174

NS(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.72
PTGS1 P23219 15/20 0.72
TDO2 P48775 1/20 0.57
SOS1 Q07889 1/20 0.55
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL6724241 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL30269803 0.83 PTGS2 (0.63) PTGS2PTGS1TDO2
SCHEMBL13448493 0.82 PTGS2 (0.72) PTGS2PTGS1TDO2
SCHEMBL957345 0.82 PTGS2 (0.49) PTGS2PTGS1CA2
SCHEMBL1711828 0.82 PTGS2 (0.50) PTGS2PTGS1CA2
SCHEMBL8653506 0.82 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL13743069 0.80 KIF11 (0.65) PTGS2PTGS1CA12CA2CA9
SCHEMBL21700442 0.79 PTGS1 (0.50) PTGS2PTGS1SOS1CA12CA2
SCHEMBL4802122 0.79 CA2 (0.55) PTGS2PTGS1CA12CA2CA9
SCHEMBL1430142 0.78 CA2 (0.76) PTGS2PTGS1SOS1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022917-A1 N-ACYL-{4-[(4-ARYL-PHENYL)SULFONYLMETHYL]PIPERIDINE} COMPOUNDS AND THEIR THERAPEUTIC USE ISTESSO THERAPEUTICS LIMITED (GB) 2023-01-26 US disclosed
WO-2020212581-A1 N-ACYL-{4-[(4-ARYL-PHENYL)SULFONYLMETHYL]PIPERIDINE} COMPOUNDS AND THEIR THERAPEUTIC USE Modern Biosciences Limited (GB) 2020-10-22 WO disclosed
US-9616037-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2017-04-11 US disclosed
US-8735630-B2 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-05-27 US disclosed
US-8735630-B2 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-05-27 US disclosed
US-20130178632-A1 Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-07-11 US disclosed
US-20130178632-A1 Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-07-11 US disclosed
US-8378145-B2 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-02-19 US disclosed
US-20090287016-A1 Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-11-19 US disclosed
US-7560596-B2 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
US-7560596-B2 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
EP-1833605-A2 TRANSITION-METAL-CATALYZED CARBON-NITROGEN AND CARBON-CARBON BOND-FORMING REACTIONS Massachusetts Institute of Technology (US) 2007-09-19 EP disclosed
US-20060173186-A1 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-08-03 US disclosed
WO-2006074315-A2 TRANSITION-METAL-CATALYZED CARBON-NITROGEN AND CARBON-CARBON BOND-FORMING REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-07-13 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 (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-20090287016-A1 Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions NBAS, APEX1, CBR3 PTGS2 613/4885PTGS1 1135/4885TDO2 60/4885
US-20060173186-A1 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions NBAS, APEX1, CBR3 PTGS2 613/4885PTGS1 1135/4885TDO2 60/4885
US-20130178632-A1 Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions NBAS, APEX1, CBR3 PTGS2 613/4885PTGS1 1135/4885TDO2 60/4885
US-20230022917-A1 N-ACYL-{4-[(4-ARYL-PHENYL)SULFONYLMETHYL]PIPERIDINE} COMPOUNDS AND THEIR THERAPEUTIC USE MCL1, BCL9, BCL9L PTGS2 852/4885PTGS1 514/4885TDO2 4716/4885

“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.