SCHEMBL1801290

SCHEMBL1801290

O=S(=O)(O[I+](c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.47
ENPP1 P22413 1/20 0.47
ENPP2 Q13822 1/20 0.47
CNR2 P34972 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
KIF11 P52732 1/20 0.39
KDM1A O60341 2/20 0.39
FLT1 P17948 2/20 0.39
FLT4 P35916 2/20 0.39
KDR P35968 2/20 0.39
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
P2RX3 P56373 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL1804287 0.92 KIF11 (0.44) ENPP3ENPP1ENPP2KIF11PTGS2
SCHEMBL2902863 0.85 ALDH1A1 (0.47) KIF11PTGS2PTGS1ALDH1A1CA1
SCHEMBL503481 0.85 ALDH1A1 (0.42) KIF11PTGS2PTGS1CYP3A4ALDH1A1
SCHEMBL548082 0.85 ALDH1A1 (0.47) KIF11PTGS2PTGS1ALDH1A1CA1
SCHEMBL547538 0.84 PTGS2 (0.41) ENPP3ENPP1L3MBTL1KIF11PTGS2
SCHEMBL547561 0.84 HSD11B1 (0.43) KIF11PTGS2PTGS1ALDH1A1CA1
SCHEMBL5422187 0.84 CA1 (0.40) ENPP3ENPP1ENPP2CNR2KIF11
SCHEMBL5408493 0.81 BCHE (0.41) KIF11PTGS2ALDH1A1CA1CA2
SCHEMBL3753880 0.80 ENPP3 (0.44) ENPP3ENPP1ENPP2FLT1FLT4
SCHEMBL5412565 0.80 NPC1 (0.37) KIF11PTGS2PTGS1MAPK1CA1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809476-B2 Polymer JSR CORPORATION (JP) 2014-08-19 US disclosed
US-8771923-B2 Radiation-sensitive composition JSR CORPORATION (JP) 2014-07-08 US disclosed
US-20130108962-A1 RADIATION-SENSITIVE COMPOSITION JSR CORPORATION (JP) 2013-05-02 US disclosed
US-8389202-B2 Polymer, radiation-sensitive composition, monomer, and method of producing compound JSR CORPORATION (JP) 2013-03-05 US disclosed
US-20130053526-A1 POLYMER JSR CORPORATION (JP) 2013-02-28 US disclosed
US-8377627-B2 Compound and radiation-sensitive composition JSR CORPORATION (JP) 2013-02-19 US disclosed
US-8361691-B2 Radiation-sensitive composition and process for producing low-molecular compound for use therein JSR CORPORATION (JP) 2013-01-29 US disclosed
US-8334087-B2 Polymer, radiation-sensitive composition, monomer, and method of producing compound JSR CORPORATION (JP) 2012-12-18 US disclosed
US-20120178024-A1 POLYMER, RADIATION-SENSITIVE COMPOSITION, MONOMER, AND METHOD OF PRODUCING COMPOUND JSR CORPORATION (JP) 2012-07-12 US disclosed
US-8173351-B2 Compound and radiation-sensitive composition JSR CORPORATION (JP) 2012-05-08 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-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 (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-20030194634-A1 Novel anthracene derivative and radiation-sensitive resin composition SRSF1, ARL1, ERCC4 ENPP3 3108/4885ENPP1 2470/4885ENPP2 3295/4885
US-20120178024-A1 POLYMER, RADIATION-SENSITIVE COMPOSITION, MONOMER, AND METHOD OF PRODUCING COMPOUND RAD51, PYM1, MRE11 ENPP3 3667/4885ENPP1 2816/4885ENPP2 2400/4885
US-20030113658-A1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition ASIC1, PFAS, RARA ENPP3 3725/4885ENPP1 1956/4885ENPP2 3741/4885

“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.