SCHEMBL10033958

SCHEMBL10033958

O=C(CC(c1ccccc1)S(=O)(=O)O)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
ALDH1A1 P00352 6/20 0.54
HPGD P15428 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
GSK3B P49841 1/20 0.46
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SRC P12931 1/20 0.44
DAO P14920 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGDS O60760 1/20 0.42

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
SCHEMBL11754791 0.80 POLB (1.00) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL22014067 0.78 TSHR (0.56) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6677049 0.78 TSHR (0.56) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL22014331 0.78 TSHR (0.56) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7351533 0.76 POLB (0.62) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL6673825 0.76 TSHR (0.55) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10033957 0.76 ALDH1A1 (0.53) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9304771 0.76 SRC (0.57) ALDH1A1KMT2ALMNASRCL3MBTL1
SCHEMBL13058838 0.74 POLB (0.64) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL31331725 0.73 POLB (0.62) POLBALDH1A1HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 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-20120029197-A1 Method for Preparing Sulfur-Containing Compounds SULT1E1, SULT1A1, TST POLB 1533/4885ALDH1A1 195/4885HPGD 1127/4885

“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.