SCHEMBL3377860

SCHEMBL3377860

CC(C)C[C@H](NCl)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 1/20 0.52
GRN P28799 3/20 0.51
SORT1 Q99523 3/20 0.51
FOLH1 Q04609 3/20 0.48
LAP3 P28838 3/20 0.46
FPR2 P25090 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RNPEP Q9H4A4 1/20 0.44
SLC7A5 Q01650 1/20 0.44

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
SCHEMBL468410 1.00 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL3377857 1.00 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1666838 0.94 ALDH1A1 (0.53) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1666833 0.94 ALDH1A1 (0.53) ALDH1A1LMNAMEN1KMT2AMAPT
Phosphonic Acid SCHEMBL1992439 0.92 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2AMAPT
Phosphonic Acid SCHEMBL1992436 0.92 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL30211920 0.80 ALDH1A1 (0.64) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL31163587 0.80 MME (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL10271737 0.79 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL93452 0.78 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2AMAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 CN claimed
CN-102176818-A Antimicrobial gel formulations NOVABAY PHARMACEUTICALS INC 2011-09-07 CN claimed
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP claimed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US claimed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO claimed
CN-101132785-A N-halogenated amino acids and N, N-dihalogenated amino acids in combination with hypohalous acids NOVABAY PHARMACEUTICALS INC (US) 2008-02-27 CN claimed
US-3991107-A Haloamine transfer NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1976-11-09 US claimed
US-12558335-B2 Preparation for removal and/or prevention of an infection associated with Staphylococcus epidermidis RLS GLOBAL AB (SE) 2026-02-24 US disclosed
US-20240091121-A1 PHOSPHONATES AND N-HALAMINES COMPOSITIONS FOR TARTAR REMOVAL O.Y.M. INNOVATION LTD. (IL) 2024-03-21 US disclosed
EP-4274539-A2 PHOSPHONATES AND N-HALAMINES COMPOSITIONS FOR TARTAR REMOVAL O.Y.M. Innovation Ltd. (IL) 2023-11-15 EP disclosed
CN-116710046-A Phosphonic acid and N-halamine compositions for tartar removal O.Y.M.创新有限公司 2023-09-05 CN disclosed
US-20220339133-A1 PREPARATION FOR REMOVAL AND/OR PREVENTION OF AN INFECTION ASSOCIATED WITH STAPHYLOCOCCUS EPIDERMIDIS RLS GLOBAL AB (SE) 2022-10-27 US disclosed
EP-4031125-A1 PREPARATION FOR REMOVAL AND/OR PREVENTION OF AN INFECTION ASSOCIATED WITH STAPHYLOCOCCUS EPIDERMIDIS RLS Global AB (SE) 2022-07-27 EP disclosed
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP disclosed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US disclosed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO disclosed
CN-101132785-A N-halogenated amino acids and N, N-dihalogenated amino acids in combination with hypohalous acids NOVABAY PHARMACEUTICALS INC (US) 2008-02-27 CN disclosed
CN-1902158-A N,N-dihalogenated amino acids and derivatives NOVACAL PHARMACEUTICALS INC (US) 2007-01-24 CN disclosed
US-3991107-A Haloamine transfer NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1976-11-09 US disclosed
US-3943628-A Spoon excavator for applying chemically acting tooth decay attacking fluid KRONMAN JOSEPH H 1976-03-16 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 (3 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-20240091121-A1 PHOSPHONATES AND N-HALAMINES COMPOSITIONS FOR TARTAR REMOVAL PHOSPHO1, PHPT1, PTMS ALDH1A1 4414/4885LMNA 1066/4885MEN1 4407/4885
US-20080287866-A1 Methods and compositions for the treatment of pain ACHE, S100P, P2RX3 ALDH1A1 2612/4885LMNA 1174/4885MEN1 4763/4885
US-12558335-B2 Preparation for removal and/or prevention of an infection associated with Staphylococcus epidermidis CLCN2, CUTA, CCR10 ALDH1A1 3248/4885LMNA 4204/4885MEN1 4778/4885

“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.