Sulfurous Acid

Sulfurous Acid

SCHEMBL9940685

O=C[C@H]1CC[C@H](c2ccc(Cl)cc2)CC1.O=S(O)O

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
IDO1 P14902 1/20 0.40
SLC2A1 P11166 1/20 0.39
HTR3A P46098 1/20 0.39
DRD2 P14416 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38

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
Sulfurous Acid SCHEMBL9940687 1.00 SLC18A3 (0.42) SLC18A3MAPTMEN1USP2LMNA
SCHEMBL8972206 0.91 HTR3A (0.44) SLC18A3MAPTMEN1USP2LMNA
SCHEMBL5271028 0.91 HTR3A (0.44) SLC18A3MAPTMEN1USP2LMNA
Hydrochloric Acid SCHEMBL28701325 0.90 HTR3A (0.43) SLC18A3MAPTMEN1USP2LMNA
SCHEMBL9182846 0.86 SLC2A1 (0.41) SLC18A3MAPTMEN1USP2LMNA
SCHEMBL8517580 0.82 IDO1 (0.45) SLC18A3MAPTMEN1USP2LMNA
SCHEMBL9311909 0.82 IDO1 (0.45) SLC18A3MAPTMEN1USP2LMNA
SCHEMBL6853901 0.82 HDAC2 (0.43) CYP2C9POLBHDAC2ESR2
SCHEMBL10693588 0.81 HTR3A (0.42) SLC18A3MAPTMEN1USP2LMNA
SCHEMBL9255070 0.77 ESR2 (0.59) CYP2C9HDAC2ESR2

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
US-8598387-B2 Process for the preparation of atovaquone GLAXO GROUP LIMITED (GB) 2013-12-03 US disclosed
EP-2651868-A2 PROCESS FOR THE PREPARATION OF ATOVAQUONE Glaxo Group Limited (GB) 2013-10-23 EP disclosed
US-20130267717-A1 PROCESS FOR THE PREPARATION OF ATOVAQUONE GLAXO GROUP LIMITED (GB) 2013-10-10 US disclosed
WO-2012080243-A2 NOVEL PROCESS GLAXO GROUP LIMITED (GB) 2012-06-21 WO 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-20130267717-A1 PROCESS FOR THE PREPARATION OF ATOVAQUONE DHPS, VKORC1, DPYD SLC18A3 1878/4885MAPT 4190/4885MEN1 3098/4885

“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.