SCHEMBL4419486

SCHEMBL4419486

CS(=O)(=O)[O-].Cc1cc([S+]2CCCC2)cc(C)c1O

nearest known ligand 0.35

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 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP2C9 P11712 2/20 0.34
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2B6 P20813 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
BRD4 O60885 1/20 0.33
CYTH2 Q99418 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
KDM4E B2RXH2 2/20 0.32
USP2 O75604 1/20 0.32
PTGS1 P23219 4/20 0.30
PTGS2 P35354 4/20 0.30
ALOX5 P09917 3/20 0.30
DUSP5 Q16690 1/20 0.30

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
Trifluoromethanesulfonic Acid SCHEMBL36229 0.87 BRD4 (0.32) CA1CA2CYP2C9ACHECYP1A2
SCHEMBL136578 0.87 CA1 (0.44) CA1CA2CYP2C9ACHECYP1A2
Trifluoromethanesulfonic Acid SCHEMBL36187 0.86 ACHE (0.33) CYP2C9ACHEBRD4KMT2A
SCHEMBL134940 0.85 ACHE (0.44) CA1CA2CYP2C9ACHECYP1A2
SCHEMBL3870640 0.84 CYTH2 (0.44) MAPTALDH1A1BRD4CYTH2KMT2A
SCHEMBL445661 0.80 CA1 (0.31) CA1CA2
SCHEMBL7047390 0.79 BRD4 (0.45) ACHEALDH1A1BRD4KMT2AMEN1
SCHEMBL3873395 0.78 PTGS1 (0.39) MAPTALDH1A1BRD4KMT2APTGS1
SCHEMBL446635 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2742099 0.72 EGFR (0.40) CA1CA2CYP3A4CYP2B6MAPT

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 4 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
US-6908722-B2 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR CORPORATION (JP) 2005-06-21 US disclosed
US-20030113658-A1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition 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

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-20030113658-A1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition ASIC1, PFAS, RARA CA1 71/4885CA2 222/4885CYP2C9 1026/4885

“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.