SCHEMBL23160004

SCHEMBL23160004

O=S(=O)(c1ccc(-c2ccccc2)cc1)C1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ HCRTR1 O43613 2/20 0.49
▸ HCRTR2 O43614 2/20 0.49
▸ GAA P10253 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PARL Q9H300 1/20 0.38

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
SCHEMBL12626117 0.85 L3MBTL1 (0.50) ALDH1A1L3MBTL1HCRTR1HCRTR2MEN1
SCHEMBL12621871 0.83 GAA (0.59) ALDH1A1L3MBTL1HCRTR1HCRTR2GAA
SCHEMBL23159676 0.82 L3MBTL1 (0.60) ALDH1A1L3MBTL1HCRTR1HCRTR2SMN1; SMN2
SCHEMBL12626116 0.77 HCRTR1 (0.42) ALDH1A1L3MBTL1HCRTR1HCRTR2MEN1
SCHEMBL25493754 0.76 L3MBTL1 (0.52) ALDH1A1L3MBTL1HCRTR1HCRTR2SMN1; SMN2
SCHEMBL12622002 0.74 POLB (0.64) ALDH1A1L3MBTL1HCRTR1HCRTR2POLB
SCHEMBL12656163 0.73 ALDH1A1 (0.41) ALDH1A1L3MBTL1POLBTSHRSMN1; SMN2
SCHEMBL12661174 0.72 HCRTR1 (0.56) ALDH1A1L3MBTL1HCRTR1HCRTR2POLB
SCHEMBL12622021 0.71 HCRTR2 (0.69) ALDH1A1L3MBTL1HCRTR1HCRTR2SMN1; SMN2
SCHEMBL12621863 0.70 LMNA (0.62) ALDH1A1L3MBTL1HCRTR1HCRTR2POLB

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-20210095248-A1 METHOD OF INHIBITING TAU PHOSPHORYLATION PAIN THERAPEUTICS, INC. 2021-04-01 — — 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-20210095248-A1 METHOD OF INHIBITING TAU PHOSPHORYLATION FLNA, FLNB, MAPT ALDH1A1 4388/4885L3MBTL1 1789/4885HCRTR1 2888/4885

“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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