Phenylmethanesulfonic Acid

Phenylmethanesulfonic Acid

SCHEMBL9752378

N=C(N)N.O=S(=O)(O)Cc1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2

The experimentally established mechanism targets of Phenylmethanesulfonic Acid. 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 2/20 0.54
CA2 P00918 2/20 0.54
CA5A P35218 1/20 0.54
CA9 Q16790 1/20 0.54
PRSS1 P07477 4/20 0.53
PRSS2 P07478 4/20 0.53
PRSS3 P35030 4/20 0.53
F2 P00734 2/20 0.53
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
FAAH O00519 1/20 0.48
ELANE P08246 1/20 0.48
PRTN3 P24158 1/20 0.48
MAPK1 P28482 1/20 0.46
IDO1 P14902 3/20 0.45
NOS1 P29475 2/20 0.45
NOS3 P29474 1/20 0.45

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
Phenylmethanesulfonic Acid SCHEMBL127384 0.89 CA2 (0.58) CA1CA2CA5ACA9PRSS1
Phenylmethanesulfonic Acid SCHEMBL1749 0.89 CA2 (0.58) CA1CA2CA5ACA9PRSS1
Phenylmethanesulfonic Acid SCHEMBL28294303 0.89 CA2 (0.58) CA1CA2CA5ACA9PRSS1
Phenylmethanesulfonic Acid SCHEMBL30217949 0.89 CA2 (0.58) CA1CA2CA5ACA9PRSS1
Phenylmethanesulfonic Acid SCHEMBL7148383 0.89 F2 (0.52) CA1CA2CA5ACA9PRSS1
Phenylmethanesulfonic Acid SCHEMBL11870010 0.87 CA2 (0.58) CA1CA2CA5ACA9PRSS1
Phenylmethanesulfonic Acid SCHEMBL589697 0.87 CA2 (0.56) CA1CA2CA5ACA9PRSS1
Phenylmethanesulfonic Acid SCHEMBL1739278 0.87 CA2 (0.56) CA1CA2CA5ACA9PRSS1
Phenylmethanesulfonic Acid SCHEMBL1073102 0.87 CA2 (0.56) CA1CA2CA5ACA9PRSS1
Phenylmethanesulfonic Acid SCHEMBL21811372 0.87 CA2 (0.56) CA1CA2CA5ACA9PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338923-B1 Polyurethane with a biocidal polyuric material as comonomer OBERWALDER SEBASTIAN (DE) 2017-10-18 EP claimed
EP-2338342-A1 Polyuric material with biocidal characteristics Oberwalder, Sebastian (DE) 2011-06-29 EP claimed
EP-2338923-A1 Polyurethane with a biocidal polyuric material as comonomer Oberwalder, Sebastian (DE) 2011-06-29 EP claimed
EP-2338923-B1 Polyurethane with a biocidal polyuric material as comonomer OBERWALDER SEBASTIAN (DE) 2017-10-18 EP disclosed
EP-2338342-A1 Polyuric material with biocidal characteristics Oberwalder, Sebastian (DE) 2011-06-29 EP disclosed
EP-2338923-A1 Polyurethane with a biocidal polyuric material as comonomer Oberwalder, Sebastian (DE) 2011-06-29 EP disclosed
WO-1991000329-A1 PROCESS FOR THE TREATMENT OF USED OIL GEUT AG GESELLSCHAFT FÜR ENERGIE- UND UMWELTTECHNIK (CH) 1991-01-10 WO disclosed