SCHEMBL9611222

SCHEMBL9611222

CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ GAA P10253 3/20 0.56
▸ GLA P06280 2/20 0.56
▸ MAPT P10636 1/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ HPN P05981 2/20 0.55
▸ PLAU P00749 1/20 0.55
▸ HPGD P15428 3/20 0.52
▸ LMNA P02545 2/20 0.51
▸ CA2 P00918 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50

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
SCHEMBL9611224 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EGAAGLAMAPT
SCHEMBL8441582 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EGAAGLAMAPT
SCHEMBL12481966 0.85 ALDH1A1 (0.57) ALDH1A1KDM4EGAAGLAMAPT
SCHEMBL2161085 0.84 ALDH1A1 (0.62) ALDH1A1KDM4EGAAGLAMAPT
SCHEMBL1000596 0.84 ALDH1A1 (0.62) ALDH1A1KDM4EGAAGLAMAPT
SCHEMBL2161104 0.84 ALDH1A1 (0.62) ALDH1A1KDM4EGAAGLAMAPT
SCHEMBL4059194 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EGAAGLAMAPT
SCHEMBL13167998 0.83 NPSR1 (0.53) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL15368932 0.83 ALDH1A1 (0.60) ALDH1A1KDM4EGAAGLAMAPT
SCHEMBL28736950 0.82 SLC1A3 (0.49) ALDH1A1GAAMAPTKMT2AMEN1

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-20120136164-A1 NANOSTRUCTURED METALS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-05-31 — — US disclosed
US-20120136164-A1 NANOSTRUCTURED METALS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-05-31 — — US disclosed
WO-2010114490-A1 NANOSTRUCTURED METALS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-10-07 — — WO 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-20120136164-A1 NANOSTRUCTURED METALS GNE, PIN1, HLA-C ALDH1A1 416/4885KDM4E 3747/4885GAA 437/4885

“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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