SCHEMBL7613846

SCHEMBL7613846

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.54
▸ BCL9 O00512 1/20 0.51
▸ CTNNB1 P35222 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ KMT2A Q03164 4/20 0.50
▸ PKM P14618 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MGLL Q99685 2/20 0.46
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ HGFAC Q04756 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL4805620 1.00 GAA (0.54) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL9435291 0.87 GAA (0.57) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL515913 0.87 GAA (0.57) GAABCL9CTNNB1HTR2AKMT2A
Water SCHEMBL4754930 0.86 GAA (0.55) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL4683792 0.83 GAA (0.60) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL29488801 0.83 GAA (0.49) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL4752026 0.82 GAA (0.58) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL14307582 0.82 GAA (0.58) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL11478677 0.81 GAA (0.54) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL28440280 0.81 GAA (0.54) GAABCL9CTNNB1HTR2AKMT2A

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-20250352516-A1 ISOTOPE-ENRICHED 3-AMINO-1-PROPANESULFONIC ACID DERIVATIVES FOR THE TREATMENT OF CEREBROVASCULAR DISEASE RISEN SUZHOU PHARMA TECH CO LTD (CN) 2025-11-20 — — US disclosed
CN-116059192-B Use of isotopically enriched 3-amino-1-propanesulfonic acid and derivatives thereof 润佳(苏州)医药科技有限公司 2024-10-29 — — CN disclosed
CN-114805211-B Isotopically enriched 3-amino-1-propanesulfonic acid derivatives, pharmaceutical compositions and uses thereof 润佳(苏州)医药科技有限公司 2024-08-23 — — CN disclosed
CN-112791078-B Use of isotopically enriched 3-amino-1-propanesulfonic acid and derivatives thereof 润佳(苏州)医药科技有限公司 2022-12-06 — — CN disclosed
CN-114805211-A Isotopically enriched 3-amino-1-propanesulfonic acid derivatives, pharmaceutical compositions and uses thereof 润佳(苏州)医药科技有限公司 2022-07-29 — — CN disclosed
EP-1173413-A1 USE OF 2,4-DIAMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES AS PROTEASOME INHIBITORS Novartis AG (CH) 2002-01-23 — — EP disclosed
WO-2000064863-A1 USE OF 2,4-DIAMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES AS PROTEASOME INHIBITORS NOVARTIS AG (CH) 2000-11-02 — — 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-20250352516-A1 ISOTOPE-ENRICHED 3-AMINO-1-PROPANESULFONIC ACID DERIVATIVES FOR THE TREATMENT OF CEREBROVASCULAR DISEASE SLC7A1, SLC1A1, SLC1A3 GAA 160/4885BCL9 4276/4885CTNNB1 1708/4885

“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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