SCHEMBL4424725

SCHEMBL4424725

O=[N+]([O-])c1cccc([I+](OS(=O)(=O)c2ccc(C(F)(F)F)cc2)c2cccc([N+](=O)O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 5/20 0.44
HSP90AA1 P07900 1/20 0.39
CXCR5 P32302 1/20 0.39
APLNR P35414 1/20 0.39
CCR6 P51684 1/20 0.39
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ENPP2 Q13822 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
CA5A P35218 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
P2RY2 P41231 2/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL2903778 0.87 GAA (0.46) GPR17GAAHTTKMT2ACA2
SCHEMBL4425580 0.83 ENPP2 (0.36) GPR17GAAHTTKMT2AENPP2
SCHEMBL2902301 0.82 HTT (0.39) GAAHTTKMT2ACA2CA1
SCHEMBL4654721 0.81 HSD11B1 (0.35) HSP90AA1CXCR5APLNRCCR6KMT2A
SCHEMBL2901802 0.81 GAA (0.38) GPR17GAAHTTKMT2ACA2
SCHEMBL2898434 0.78 CYP1A2 (0.51) GPR17HSP90AA1CXCR5APLNRCCR6
SCHEMBL2898676 0.78 HTT (0.35) GAAHTTKMT2ACA2CA1
SCHEMBL2903729 0.77 MMP1 (0.35) GAAHTTKMT2ACA2CA1
SCHEMBL547538 0.75 PTGS2 (0.41) CA2CA1PTGS2CYP19A1TSHR
SCHEMBL1804287 0.73 KIF11 (0.44) KMT2AENPP2CA2CA1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270553-B1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR CORP (JP) 2009-11-18 EP disclosed
EP-1640804-B1 Positive-tone radiation-sensitive resin composition JSR CORP (JP) 2008-11-19 EP disclosed
US-7335457-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2008-02-26 US disclosed
US-7258962-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2007-08-21 US disclosed
US-20060078821-A1 A caroboxyalkylanthracene based compound, a hydroxy or alkoxystyrene polymer, and a sulfonimide compound as photoacid generator; low sublimation properties and excellent compatibility with other components; exhibits optimum controllability of radiation transmittance; microfabrication JSR CORPORATION (JP) 2006-04-13 US disclosed
EP-1640804-A2 Positive-tone radiation-sensitive resin composition JSR Corporation (JP) 2006-03-29 EP disclosed
US-20050244747-A1 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2005-11-03 US disclosed
US-6908722-B2 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR CORPORATION (JP) 2005-06-21 US disclosed
US-6846607-B2 Carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORPORATION (JP) 2005-01-25 US disclosed
US-6830868-B2 Useful as a chemically amplified resist responding to active radiation, for example ultraviolet rays such as a KrF excimer laser, ArF excimer laser, and F2 excimer laser JSR CORPORATION (JP) 2004-12-14 US disclosed
US-6824954-B2 DIHALOMETHYL SULFONYLOXIME COMPOUNDS; FOR EXAMPLE, 2,2-DIFLUORO-2-METHYLACETOPHENONE-O-METHYLSULFONYLOXIME; HEAT STABILITY AND STORAGE STABILITY; SENSITIVE TO FAR ULTRAVIOLET RADIATION OR ELECTRON BEAMS; RESISTS JSR CORPORATION (JP) 2004-11-30 US disclosed
US-6821705-B2 USED AS CHEMICALLY AMPLIFIED RESIST, EXHIBITS HIGH SENSITIVITY, RESOLUTION, RADIATION TRANSMITTANCE, AND SURFACE SMOOTHNESS, AND IS FREE FROM THE PROBLEM OF PARTIAL INSOLUBLIZATION DURING OVEREXPOSURE JSR CORPORATION (JP) 2004-11-23 US disclosed
US-6770780-B1 QUATERNIZATION OF T-BUTYL BROMOACETATE WITH TRI(N-BUTYL)PHOSPHINE TO FORM PHOSPHONIUM SALT; REACTING WITH BASE TO FORM PHOSPHORUS YLIDE; FORMING 2,4,6-TRIS(3', 5'-DI-T-BUTYL-4'-HYDROXYBENZYL)METHYL-STYRENE; HYDROLYSIS JSR CORPORATION (JP) 2004-08-03 US disclosed
US-20030194634-A1 Novel anthracene derivative and radiation-sensitive resin composition JSR CORPORATION (JP) 2003-10-16 US disclosed
EP-1343048-A2 Anthracene derivative and radiation-sensitive resin composition JSR Corporation (JP) 2003-09-10 EP disclosed
US-20030113658-A1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR CORPORATION (JP) 2003-06-19 US disclosed
US-20030113660-A1 Sulfonyloxime compound, and radiation sensitive acid generator, positive type radiation sensitive resin composition and negative type radiation sensitive resin composition using same JSR CORPORATION (JP) 2003-06-19 US disclosed
EP-1270553-A2 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR Corporation (JP) 2003-01-02 EP disclosed
EP-1231205-A1 VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2002-08-14 EP 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-20030194634-A1 Novel anthracene derivative and radiation-sensitive resin composition SRSF1, ARL1, ERCC4 GPR17 832/4885HSP90AA1 477/4885CXCR5 3914/4885
US-20030113658-A1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition ASIC1, PFAS, RARA GPR17 801/4885HSP90AA1 377/4885CXCR5 3015/4885

“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.