SCHEMBL2233068

SCHEMBL2233068

CC(C)C(C)CS(C)(=O)=O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL224638 0.79
SCHEMBL2234681 0.77
SCHEMBL6722134 0.75
SCHEMBL92927 0.73
SCHEMBL6722136 0.73 SLC22A6 (0.40)
SCHEMBL6113190 0.73
SCHEMBL6113627 0.73
SCHEMBL21536757 0.73 CA1 (0.35)
SCHEMBL16477902 0.73 GRIA1 (0.33)
SCHEMBL6113096 0.73

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-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors MERCK SHARP & DOHME LLC (US) 2023-10-17 US disclosed
EP-2360143-B1 SULFONE COMPOUNDS FOR USE AS SOLVENT FOR ELECTROCHEMICAL DEVICES SUMITOMO SEIKA CHEMICALS (JP) 2017-08-16 EP disclosed
US-8637557-B2 Aminothiazole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-01-28 US disclosed
US-8466324-B2 Sulfone compound SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2013-06-18 US disclosed
US-20120220767-A1 AMINOTHIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20110257438-A1 SULFONE COMPOUND SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2011-10-20 US disclosed
EP-2360143-A1 SULFONE COMPOUND Sumitomo Seika Chemicals CO. LTD. (JP) 2011-08-24 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 (3 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-20120220767-A1 AMINOTHIAZOLE DERIVATIVE AKT3, AKT2, JAK1 ALDH1A1 1711/4885
US-20110257438-A1 SULFONE COMPOUND SULT1E1, SULT1A1, STS ALDH1A1 75/4885
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 ALDH1A1 1000/4885

“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.