Phenylmethanesulfonic Acid

Phenylmethanesulfonic Acid

SCHEMBL6232593

COCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=S(=O)([O-])Cc1ccccc1

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
TRAP1 Q12931 1/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
RORC P51449 1/20 0.36
F2 P00734 1/20 0.36
FAAH O00519 1/20 0.36
ELANE P08246 1/20 0.36
PRTN3 P24158 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 2/20 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
Phenylmethanesulfonic Acid SCHEMBL6230993 0.80 CA2 (0.41) HIF1AALDH1A1TSHRPRSS1PRSS2
Hydrochloric Acid SCHEMBL9318288 0.79 HIF1A (0.58) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Bromide SCHEMBL2542018 0.79 HIF1A (0.58) HIF1AALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL6232589 0.78 ALDH1A1 (0.40) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Phenylmethanesulfonic Acid SCHEMBL4921377 0.78 SNCA (0.47) HIF1AALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL6232586 0.77 HIF1A (0.38) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Phenylmethanesulfonic Acid SCHEMBL4463640 0.75 CA2 (0.50) ALDH1A1TSHRPRSS1PRSS2PRSS3
Phenylmethanesulfonic Acid SCHEMBL135008 0.75 CA2 (0.58) TSHRPRSS1PRSS2PRSS3F2
Phenylmethanesulfonic Acid SCHEMBL9806403 0.73 EPHX2 (0.41) HIF1AALDH1A1FAAHHPGD
Phenylmethanesulfonic Acid SCHEMBL2057826 0.73 CA2 (0.56) TSHRPRSS1PRSS2PRSS3F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6037114-A A THERMOSENSITIVE ELEMENT COMPRISING AN ORGANIC SILVER SALT AND A REDUCING AGENT EXHIBITING A NEUTRAL IMAGE TONE EXHIBIT AN INCREASE IN MAXIMUM IMAGE DENSITY AND IMAGE GRADATION UPON INCORPORATING A NON-HALIDE POLYARYLONIUM COMPOUND AGFA-GEVAERT (BE) 2000-03-14 US claimed
EP-0848286-B1 Thermographic recording material with improved image tone and/or stability upon thermal development AGFA GEVAERT (BE) 2005-04-06 EP disclosed
EP-0921434-B1 Thermographic recording material with improved image density and/or image gradation upon thermal development AGFA GEVAERT (BE) 2003-07-09 EP disclosed
US-6579671-B2 Comprises silver behenate, silver palmitate, and silver stearate; for thermographic or photothermographic development; x-rays AGFA-GEVAERT (BE) 2003-06-17 US disclosed
US-20020150849-A1 Recording materials with improved shelf-life, image tone and /or stability upon thermal development AGFA-GEVAERT (BE) 2002-10-17 US disclosed
US-6159667-A Thermographic recording material with improved image tone and/or stability upon thermal development AGFA-GEVAERT (BE) 2000-12-12 US disclosed
US-6096486-A SUPPORT, THERMOSENSITIVE ELEMENT CONTAINING SILVER BEHENATE, ORGANIC REDUCING AGENT, AND A BINDER, WHERE THE SILVER BEHENATE IS NOT ASSOCIATED WITH MERCURY OR LEAD IONS, HAS SPECIFIED X-RAY CHARACTERISTICS, AND INCREASED CRYSTALLINITY AGFA-GEVAERT (BE) 2000-08-01 US disclosed
US-6037114-A A THERMOSENSITIVE ELEMENT COMPRISING AN ORGANIC SILVER SALT AND A REDUCING AGENT EXHIBITING A NEUTRAL IMAGE TONE EXHIBIT AN INCREASE IN MAXIMUM IMAGE DENSITY AND IMAGE GRADATION UPON INCORPORATING A NON-HALIDE POLYARYLONIUM COMPOUND AGFA-GEVAERT (BE) 2000-03-14 US disclosed
EP-0921434-A1 Thermographic recording material with improved image density and/or image gradation upon thermal development AGFA-GEVAERT N.V. (BE) 1999-06-09 EP disclosed
EP-0848286-A1 Thermographic recording material with improved image tone and/or stability upon thermal development AGFA-GEVAERT N.V. (BE) 1998-06-17 EP disclosed