Phenylmethanesulfonic Acid

Phenylmethanesulfonic Acid

SCHEMBL6115229

O=S(=O)(O)Cc1ccccc1.O=S(=O)(O)Cc1ccccc1.c1ccc(Cc2ccccn2)nc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
PTPRA P18433 1/20 0.42
GLO1 Q04760 1/20 0.41
CXCR3 P49682 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41

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 SCHEMBL7752154 0.87 TDP1 (0.44) TDP1LMNAPOLBSMN1; SMN2KMT2A
Sulfuric Acid SCHEMBL28293640 0.84 L3MBTL1 (0.56) TDP1LMNAPOLBSMN1; SMN2KMT2A
SCHEMBL496697 0.82 TDP1 (0.54) TDP1LMNASMN1; SMN2KMT2AL3MBTL1
SCHEMBL27860533 0.80 LMNA (0.72) TDP1LMNASMN1; SMN2KMT2AL3MBTL1
SCHEMBL11554275 0.80 LMNA (0.53) TDP1LMNASMN1; SMN2KMT2AL3MBTL1
Phenylmethanesulfonic Acid SCHEMBL3538486 0.80 CA1 (0.47) LMNASMN1; SMN2KMT2AHPGDGLO1
Phenylmethanesulfonic Acid SCHEMBL28064943 0.80 CA2 (0.54) LMNASMN1; SMN2KMT2AHPGDCYP3A4
Phenylmethanesulfonic Acid SCHEMBL28194151 0.80 PRSS1 (0.54) LMNASMN1; SMN2KMT2AHPGDCYP3A4
Phenylmethanesulfonic Acid SCHEMBL30217949 0.80 CA2 (0.58) LMNASMN1; SMN2KMT2AHPGDCYP3A4
Phenylmethanesulfonic Acid SCHEMBL127384 0.80 CA2 (0.58) LMNASMN1; SMN2KMT2AHPGDCYP3A4

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-2821395-A2 Novel disulfonic acid ester as an additive for an electrolyte for a lithium secondary battery Wako Pure Chemical Industries, Ltd. (JP) 2015-01-07 EP disclosed
US-8716513-B2 Process for production of bis-quaternary ammonium salt, and novel intermediate WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-06 US disclosed
EP-2463266-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE Wako Pure Chemical Industries, Ltd. (JP) 2012-06-13 EP disclosed
US-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-24 US 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-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE ASS1, C1S, FHIT TDP1 3074/4885LMNA 4498/4885POLB 3746/4885

“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.