SCHEMBL5159231

SCHEMBL5159231

O=S(=O)(O)C(CO)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.55
ALDH1A1 P00352 2/20 0.48
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.42
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
TRPA1 O75762 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GSR P00390 1/20 0.39

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
SCHEMBL14955287 0.84 SRC (0.57) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL14955046 0.84 SRC (0.57) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL3250020 0.81 SRC (0.53) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL1003234 0.81 SRC (0.53) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL10633537 0.81 SRC (0.53) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL1663424 0.81 SRC (0.53) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL30600579 0.81 CYP2C19 (0.41) SRCALDH1A1CYP2D6CYP2C19TRPA1
SCHEMBL15617700 0.81 TRPA1 (0.47) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL3398553 0.81 SRC (0.53) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL3398560 0.81 SRC (0.53) SRCALDH1A1CYP2D6CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101163763-A Curable acrylate compositions, methods of making the compositions, and articles made therefrom GEN ELECTRIC (US) 2008-04-16 CN claimed
EP-0585071-B1 Process for making sodium acylisethionates HOECHST CELANESE CORP (US) 1996-07-24 EP claimed
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
CN-101163763-A Curable acrylate compositions, methods of making the compositions, and articles made therefrom GEN ELECTRIC (US) 2008-04-16 CN disclosed
EP-1236714-B1 ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE MITSUBISHI RAYON CO (JP) 2007-01-17 EP disclosed
US-6642395-B1 Esterifying mandelic acid derivative; protecting hydroxyl group and reducing ester; sulfonating and epoxidizing MITSUBISHI RAYON CO., LTD. (JP) 2003-11-04 US disclosed
EP-1236714-A1 ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2002-09-04 EP disclosed
CN-1356323-A Benzothiazolone derivative ASTRAZENECA AB (SE) 2002-07-03 CN disclosed
CN-1073098-C Benzothiazolone derivatives ASTRA ZENICA LTD (SE) 2001-10-17 CN disclosed
CN-1202163-A Benzothiazolone derivatives ASTRA PHARMA PROD (GB) 1998-12-16 CN disclosed
CN-1051367-A The lactone polymerization of yttrium and catalysis of rare-earth compound DU PONT (US) 1991-05-15 CN 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 SRC 937/4885ALDH1A1 195/4885CYP2D6 352/4885

“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.