SCHEMBL13892255

SCHEMBL13892255

Cc1cc(S(=O)(=O)CCO)ccc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
CA2 P00918 11/20 0.47
POLB P06746 1/20 0.42
LOX P28300 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.35
ACSS2 Q9NR19 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL13069425 0.87 ALDH1A1 (0.47) ALDH1A1HTTCA2POLBLOX
SCHEMBL12810147 0.84 ALDH1A1 (0.44) ALDH1A1HTTPOLBPTGDR2CYP3A4
SCHEMBL13392068 0.83 ALDH1A1 (0.44) ALDH1A1HTTCA2LOXCYP3A4
SCHEMBL9338995 0.80 CA2 (0.67) ALDH1A1CA2POLBLOXCYP2C9
SCHEMBL10262158 0.80 ALDH1A1 (0.44) ALDH1A1CA2CYP2C9CYP2C19KDM4E
SCHEMBL13391990 0.79 ALDH1A1 (0.48) ALDH1A1HTTCA2POLBKDM4E
SCHEMBL27957276 0.78 ALDH1A1 (0.43) ALDH1A1CA2CYP2C9CYP2C19KDM4E
SCHEMBL130972 0.78 CA2 (0.53) ALDH1A1HTTCA2POLBLOX
SCHEMBL14495147 0.77 L3MBTL1 (0.46) ALDH1A1
SCHEMBL10646225 0.77 CA2 (0.54) ALDH1A1CA2POLBLOXCYP2C9

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-8372161-B2 Method for the reactive coloring of leather BASF SE (DE) 2013-02-12 US disclosed
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 US disclosed
US-20070033746-A1 Method for the reactive coloring of leather BASF AKTIENGESSELLSCHAFT (DE) 2007-02-15 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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes KRT18, KLK3, KLKB1 ALDH1A1 2661/4885HTT 2734/4885CA2 2620/4885

“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.