SCHEMBL11696751

SCHEMBL11696751

O=C(O)CCS(=O)(=O)CCO

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.79
CAMK2A Q9UQM7 1/20 0.43
KMT2A Q03164 2/20 0.42
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MEN1 O00255 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
POLB P06746 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.36
TSHR P16473 2/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL4413341 0.89 APEX1 (1.00) APEX1CAMK2AKMT2ALMNAALDH1A1
SCHEMBL17822770 0.81 GPR84 (0.56) APEX1CAMK2AKMT2ALMNAALDH1A1
SCHEMBL6223633 0.80
SCHEMBL505953 0.80
SCHEMBL1200576 0.77 APEX1 (0.75) APEX1KMT2ALMNAALDH1A1GPR84
SCHEMBL13901852 0.77 APEX1 (0.46) APEX1KMT2ALMNAALDH1A1MEN1
SCHEMBL11335285 0.77 APEX1 (0.75) APEX1KMT2ALMNAALDH1A1MEN1
SCHEMBL13923318 0.77 APEX1 (0.46) APEX1KMT2APMP22
SCHEMBL13901846 0.77 APEX1 (0.46) APEX1KMT2AALDH1A1HTT
SCHEMBL9271184 0.76 APEX1 (0.74) APEX1KMT2ALMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4046647-A BETA-SUBSTITUTED, GAMMA-SUBSTITUTED, OR BETA, GAMMA-DISUBSTITUTED SULFONE M&T CHEMICALS INC. (US) 1977-09-06 US claimed
EP-2030968-B1 Sulfur-containing compound, method of preparation and pharmaceutical uses thereof NAT SUN YAT-SEN UNIV (TW) 2017-02-22 EP disclosed
US-9238620-B1 Pharmaceutical uses of sulfur-containing compound NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2016-01-19 US disclosed
US-20160009642-A1 PHARMACEUTICAL USES OF SULFUR-CONTAINING COMPOUND NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2016-01-14 US disclosed
US-8722745-B2 Sulfur-containing compound, method of preparation and pharmaceutical uses thereof NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2014-05-13 US disclosed
US-20130172355-A1 SULFUR-CONTAINING COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL USES THEREOF NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2013-07-04 US disclosed
EP-2030968-A2 Sulfur-containing compound, method of preparation and pharmaceutical uses thereof National Sun Yat-Sen University (TW) 2009-03-04 EP 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 (2 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-20160009642-A1 PHARMACEUTICAL USES OF SULFUR-CONTAINING COMPOUND CTH, MPST, CBS APEX1 2272/4885CAMK2A 3865/4885KMT2A 3793/4885
US-20130172355-A1 SULFUR-CONTAINING COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL USES THEREOF CBS, SQOR, TST APEX1 535/4885CAMK2A 3127/4885KMT2A 2574/4885

“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.