SCHEMBL17835405

SCHEMBL17835405

CS(=O)(=O)O.Sc1ccc(Sc2ccccc2)cc1

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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 18)

geneUniProtsupporting neighboursconfidence
BCL2 known ✓ P10415 1/20 0.41
MCL1 known ✓ Q07820 1/20 0.41
MAOB known ✓ P27338 1/20 0.38
SLC6A4 known ✓ P31645 1/20 0.37
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
MMP13 P45452 8/20 0.44
MMP8 P22894 2/20 0.44
MMP3 P08254 1/20 0.44
MMP2 P08253 2/20 0.42
MMP1 P03956 2/20 0.42
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAOA P21397 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.37
ADAM17 P78536 1/20 0.37
CTSK P43235 1/20 0.37

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
Diphenylsulfane SCHEMBL27686988 0.88 ALDH1A1 (0.54) ALDH1A1HPGDMMP13MMP8MMP3
Diphenylsulfane SCHEMBL28815911 0.86 ALDH1A1 (0.52) ALDH1A1HPGDMMP13MMP8MMP3
Diphenylsulfane SCHEMBL27852555 0.86 ALDH1A1 (0.52) ALDH1A1HPGDMMP13MMP8MMP3
Trifluoromethanesulfonic Acid SCHEMBL17835417 0.84 MMP13 (0.41) ALDH1A1HPGDMMP13MMP8MMP3
SCHEMBL544383 0.83 MAOA (0.50) ALDH1A1HPGDMMP13MMP8MMP3
SCHEMBL25895028 0.83 MAOA (0.50) ALDH1A1HPGDMMP13MMP8MMP3
Hydrochloric Acid SCHEMBL9007558 0.81 MAOA (0.48) ALDH1A1HPGDMMP13MMP8MMP3
Benzenethiol SCHEMBL28177073 0.81 KEAP1 (0.46) ALDH1A1HPGDMMP13MMP8MMP2
Phosphoric Acid SCHEMBL28683981 0.80 HPGD (0.47) ALDH1A1HPGDMMP13MMP8MMP3
Fluoride SCHEMBL27764069 0.79 MAOA (0.46) ALDH1A1HPGDMMP13MMP8MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10982049-B2 Polyarylene sulfide resin and manufacturing method therefor, poly(arylene sulfonium salt) and manufacturing method therefor, and sulfoxide DIC CORPORATION (JP) 2021-04-20 US disclosed
EP-3042924-B1 POLYARYLENE SULFIDE RESIN AND MANUFACTURING METHOD THEREFOR, POLY(ARYLENE SULFONIUM SALT) AND MANUFACTURING METHOD THEREFOR, AND SULFOXIDE DAINIPPON INK & CHEMICALS (JP) 2020-04-29 EP disclosed
EP-3636632-A1 POLYARYLENE SULFIDE RESIN AND MANUFACTURING METHOD THEREFOR, POLY(ARYLENESULFONIUM SALT) AND MANUFACTURING METHOD THEREFOR, AND SULFOXIDE DIC Corporation (JP) 2020-04-15 EP disclosed
US-20190300652-A1 POLYARYLENE SULFIDE RESIN AND MANUFACTURING METHOD THEREFOR, POLY(ARYLENE SULFONIUM SALT) AND MANUFACTURING METHOD THEREFOR, AND SULFOXIDE DAINIPPON INK & CHEMICALS (JP) 2019-10-03 US disclosed
US-10385168-B2 Polyarylene sulfide resin and manufacturing method therefor, poly(arylenesulfonium salt) and manufacturing method therefor, and sulfoxide DIC CORPORATION (JP) 2019-08-20 US disclosed
EP-3034542-B1 POLYARYLENE SULFIDE RESIN, MANUFACTURING METHOD THEREFOR, AND MOLDING DAINIPPON INK & CHEMICALS (JP) 2019-01-30 EP disclosed
US-10072124-B2 Polyarylene sulfide resin, manufacturing method therefor, and molding DIC CORPORATION (JP) 2018-09-11 US disclosed
US-20170218125-A1 POLYARYLENE SULFIDE RESIN, MANUFACTURING METHOD THEREFOR, AND MOLDING DAINIPPON INK & CHEMICALS (JP) 2017-08-03 US disclosed
US-20170218126-A1 POLYARYLENE SULFIDE RESIN AND MANUFACTURING METHOD THEREFOR, POLY(ARYLENE SULFONIUM SALT) AND MANUFACTURING METHOD THEREFOR, AND SULFOXIDE DAINIPPON INK & CHEMICALS (JP) 2017-08-03 US disclosed
US-9657142-B2 Polyarylene sulfide resin and manufacturing method therefor, poly(arylene sulfonium salt) and manufacturing method therefor, and sulfoxide DIC CORPORATION (JP) 2017-05-23 US disclosed
US-20160200874-A1 POLYARYLENE SULFIDE RESIN AND MANUFACTURING METHOD THEREFOR, POLY(ARYLENE SULFONIUM SALT) AND MANUFACTURING METHOD THEREFOR, AND SULFOXIDE DIC CORPORATION (JP) 2016-07-14 US disclosed
EP-3042924-A1 POLYARYLENE SULFIDE RESIN AND MANUFACTURING METHOD THEREFOR, POLY(ARYLENE SULFONIUM SALT) AND MANUFACTURING METHOD THEREFOR, AND SULFOXIDE DIC Corporation (JP) 2016-07-13 EP disclosed
EP-3034542-A1 POLYARYLENE SULFIDE RESIN, MANUFACTURING METHOD THEREFOR, AND MOLDING DIC Corporation (JP) 2016-06-22 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 (5 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-20190300652-A1 POLYARYLENE SULFIDE RESIN AND MANUFACTURING METHOD THEREFOR, POLY(ARYLENE SULFONIUM SALT) AND MANUFACTURING METHOD THEREFOR, AND SULFOXIDE GARS1, ASH2L, SULT1A1 BCL2 3726/4885MCL1 3046/4885MAOB 3981/4885
US-20160200874-A1 POLYARYLENE SULFIDE RESIN AND MANUFACTURING METHOD THEREFOR, POLY(ARYLENE SULFONIUM SALT) AND MANUFACTURING METHOD THEREFOR, AND SULFOXIDE GARS1, ASH2L, SULT1A1 BCL2 3726/4885MCL1 3046/4885MAOB 3981/4885
US-10982049-B2 Polyarylene sulfide resin and manufacturing method therefor, poly(arylene sulfonium salt) and manufacturing method therefor, and sulfoxide GARS1, ASH2L, SULT1A1 BCL2 3726/4885MCL1 3046/4885MAOB 3981/4885
US-20170218126-A1 POLYARYLENE SULFIDE RESIN AND MANUFACTURING METHOD THEREFOR, POLY(ARYLENE SULFONIUM SALT) AND MANUFACTURING METHOD THEREFOR, AND SULFOXIDE GARS1, ASH2L, SULT1A1 BCL2 3726/4885MCL1 3046/4885MAOB 3981/4885
US-10385168-B2 Polyarylene sulfide resin and manufacturing method therefor, poly(arylenesulfonium salt) and manufacturing method therefor, and sulfoxide GARS1, ASH2L, SULT1A1 BCL2 3756/4885MCL1 2910/4885MAOB 3862/4885

“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.