SCHEMBL2896064

SCHEMBL2896064

O=S(=O)([O-])c1ccc(C(F)(F)F)cc1.c1ccc([S+]2CCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
KIF11 P52732 2/20 0.38
HSD11B1 P28845 2/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
EEF2K O00418 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GBA1 P04062 1/20 0.35
CYP19A1 P11511 1/20 0.35
AR P10275 1/20 0.34

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
SCHEMBL2900940 0.86 HTR6 (0.37) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL2903728 0.86 KIF11 (0.41) PTGS2PTGS1KIF11ALDH1A1MEN1
Trifluoromethanesulfonic Acid SCHEMBL36383 0.81 GPR3 (0.43)
SCHEMBL4401013 0.80 GAA (0.41) HSD11B1ALDH1A1MEN1KMT2AL3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL36325 0.80 GPR3 (0.42)
SCHEMBL7047390 0.79 BRD4 (0.45) PTGS2PTGS1KIF11ALDH1A1MEN1
SCHEMBL2894848 0.78 KMT2A (0.44) HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL2901159 0.76 ESR1 (0.39) TSHRMEN1KMT2A
SCHEMBL15568688 0.75 KIF11 (0.55) PTGS2PTGS1KIF11ALDH1A1CYP19A1
Silver SCHEMBL6115105 0.75 KIF11 (0.55) PTGS2PTGS1KIF11ALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1253470-B1 Radiation-sensitive resin composition JSR CORP (JP) 2010-06-16 EP disclosed
US-7258962-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2007-08-21 US disclosed
US-20050244747-A1 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2005-11-03 US disclosed
US-6846607-B2 Carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORPORATION (JP) 2005-01-25 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-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-1253470-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2002-10-30 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 (1 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 PTGS2 3457/4885PTGS1 2973/4885KIF11 1660/4885

“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.