SCHEMBL4401013

SCHEMBL4401013

Cc1ccc(S(=O)(=O)[O-])cc1.c1ccc([S+]2CCCC2)cc1

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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 0.90 HTR6 (0.37) GAAALDH1A1KDM4EHPGDGFER
SCHEMBL2900947 0.84 ACHE (0.39) GAAALDH1A1CA12CA9CA1
SCHEMBL2901159 0.79 ESR1 (0.39) GAAGFERCA12CA9CA1
SCHEMBL7792964 0.79 ALDH1A1 (0.37) GAACYP3A4CYP2D6CYP1A2ALDH1A1
SCHEMBL3870640 0.78 CYTH2 (0.44) GAAALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL11840096 0.78 GAA (0.45) GAACYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL10418852 0.77 GAA (0.52) GAACYP3A4CYP2D6CYP1A2ALDH1A1
Benzene SCHEMBL29261851 0.76 GAA (0.56) GAACYP3A4CYP2D6CYP1A2ALDH1A1
SCHEMBL30084680 0.76 GAA (0.62) GAACYP3A4CYP2D6CYP1A2ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL36289 0.75 GPR3 (0.39) GAACYP3A4CYP2D6CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1238972-B1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORP (JP) 2009-12-16 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-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-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
US-20020192593-A1 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) 2002-12-19 US disclosed
US-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORPORATION (JP) 2002-11-21 US disclosed
EP-1238972-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR Corporation (JP) 2002-09-11 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 GAA 1889/4885CYP3A4 4324/4885CYP2D6 4447/4885
US-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition ARID2, RAD1, RAD51 GAA 3284/4885CYP3A4 2085/4885CYP2D6 4000/4885

“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.