SCHEMBL1769852

SCHEMBL1769852

Cc1ccc(S(=O)(=O)OCCC(C)CCCC(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA1 P00915 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37
CA2 P00918 1/20 0.37
STAT3 P40763 1/20 0.36
FDPS P14324 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
GGPS1 O95749 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL3581029 1.00 CA12 (0.38) CA12CA9CA1ALDH1A1CYP3A4
SCHEMBL10538451 1.00 CA12 (0.38) CA12CA9CA1ALDH1A1CYP3A4
SCHEMBL11363251 1.00 CA12 (0.38) CA12CA9CA1ALDH1A1CYP3A4
SCHEMBL10538441 1.00 CA12 (0.38) CA12CA9CA1ALDH1A1CYP3A4
SCHEMBL10725680 1.00 CA12 (0.38) CA12CA9CA1ALDH1A1CYP3A4
SCHEMBL10759972 1.00 CA12 (0.38) CA12CA9CA1ALDH1A1CYP3A4
SCHEMBL9485780 1.00 CA12 (0.38) CA12CA9CA1ALDH1A1CYP3A4
SCHEMBL3577983 0.93 LMNA (0.40) CA12CA9CA1ALDH1A1CYP3A4
SCHEMBL3575734 0.93 LMNA (0.40) CA12CA9CA1ALDH1A1CYP3A4
SCHEMBL17233364 0.91 CA9 (0.43) CA12CA9CA1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011135401-A1 POLYSACCHARIDES COMPRISING CARBOXYL FUNCTIONAL GROUPS SUBSTITUTED BY ESTERIFICATION BY A HYDROPHOBIC ALCOHOL ADOCIA (FR) 2011-11-03 WO disclosed
US-20110112039-A1 Polysaccharides comprising carboxyl functional groups substituted via esterification by a hydrophobic alcohol ADOCIA (FR) 2011-05-12 US disclosed
WO-2002100975-A2 (ELECTRO)LUMINESCENT DEVICE WITH AN ORGANIC DYE AS AN ACCEPTOR KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2002-12-19 WO disclosed
EP-0352054-B1 LIQUID CRYSTAL COMPOUND TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1993-02-10 EP disclosed
EP-0352054-A2 Liquid crystal compound TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1990-01-24 EP disclosed
US-4694084-A Glycerol ether phosphatides HOFFMANN-LA ROCHE INC. (US) 1987-09-15 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-20110112039-A1 Polysaccharides comprising carboxyl functional groups substituted via esterification by a hydrophobic alcohol ADH1A, ADH5, ADH1C CA12 255/4885CA9 1013/4885CA1 886/4885

“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.