SCHEMBL29488801

SCHEMBL29488801

CC(C)[C@H](N)C(=[18O])Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.49
▸ BCL9 O00512 1/20 0.47
▸ CTNNB1 P35222 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ HTR2A P28223 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MGLL Q99685 2/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41

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
SCHEMBL7613846 0.83 GAA (0.54) GAABCL9CTNNB1KMT2APKM
SCHEMBL4805620 0.83 GAA (0.54) GAABCL9CTNNB1KMT2APKM
SCHEMBL515913 0.76 GAA (0.57) GAABCL9CTNNB1KMT2APKM
SCHEMBL9435291 0.76 GAA (0.57) GAABCL9CTNNB1KMT2APKM
Water SCHEMBL4754930 0.75 GAA (0.55) GAABCL9CTNNB1KMT2APKM
SCHEMBL16922669 0.73 GAA (0.57) GAABCL9CTNNB1KMT2APKM
SCHEMBL16671852 0.73 GAA (0.57) GAABCL9CTNNB1KMT2APKM
SCHEMBL6564402 0.73 BCL9 (0.61) GAABCL9CTNNB1KMT2APKM
SCHEMBL4683792 0.72 GAA (0.60) GAABCL9CTNNB1KMT2APKM
SCHEMBL21633908 0.72 MEN1 (0.51) GAABCL9CTNNB1KMT2AHTR2A

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-12459888-B2 Isotope-enriched 3-amino-1-propanesulfonic acid derivatives and uses thereof Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2025-11-04 — — US disclosed
US-20240158343-A1 ISOTOPE-ENRICHED 3-AMINO-1-PROPANESULFONIC ACID DERIVATIVES AND USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2024-05-16 — — US disclosed
CN-108623501-B Isotopically enriched 3-amino-1-propanesulfonic acid derivatives and their use 润佳(苏州)医药科技有限公司 2022-04-19 — — CN 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 (2 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-20240158343-A1 ISOTOPE-ENRICHED 3-AMINO-1-PROPANESULFONIC ACID DERIVATIVES AND USES THEREOF PSEN2, PSEN1, APP GAA 823/4885BCL9 2890/4885CTNNB1 1238/4885
US-12459888-B2 Isotope-enriched 3-amino-1-propanesulfonic acid derivatives and uses thereof PSEN2, PSEN1, APP GAA 823/4885BCL9 2890/4885CTNNB1 1238/4885

“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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