SCHEMBL5950354

SCHEMBL5950354

CC(C)(CS(=O)(=O)c1ccc2ccccc2c1)[C@@H](O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTT P42858 2/20 0.45
▸ PKM P14618 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LARS1 Q9P2J5 1/20 0.43
▸ BCL2L1 Q07817 2/20 0.43
▸ MCL1 Q07820 2/20 0.43
▸ SLC1A3 P43003 1/20 0.43
▸ SLC1A2 P43004 1/20 0.43
▸ SLC1A1 P43005 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42

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
SCHEMBL5950356 1.00 GAA (0.48) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL5950934 0.73 ALDH1A1 (0.55) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL5950935 0.73 ALDH1A1 (0.55) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL5954118 0.73 ALDH1A1 (0.55) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL20846876 0.73 GAA (0.48) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL2705523 0.73 ALDH1A1 (0.54) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL5950815 0.72 ANPEP (0.46) ALDH1A1LMNA
SCHEMBL5276256 0.72 GAA (0.50) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL5951016 0.72 GAA (0.50) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL5950810 0.72 ANPEP (0.46) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111347-A1 Substituted sulfones and methods of use AMGEN INC. (US) 2006-05-25 — — 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-20060111347-A1 Substituted sulfones and methods of use SULT2A1, STS, SULT1A1 GAA 315/4885ALDH1A1 224/4885KDM4E 1758/4885

“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.

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