SCHEMBL564120

SCHEMBL564120

N=C(N)NCCCC[C@H](NO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.41
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
NOD1 Q9Y239 2/20 0.36
C3AR1 Q16581 1/20 0.36
ALB P02768 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
GNPAT O15228 1/20 0.35
OTC P00480 1/20 0.34

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
SCHEMBL27532875 1.00 FOLH1 (0.41) FOLH1ALOX15SMN1; SMN2MEN1CYP1A2
SCHEMBL117141 0.95 C3AR1 (0.40) FOLH1ALOX15SMN1; SMN2MEN1CYP1A2
SCHEMBL8164682 0.95 C3AR1 (0.40) FOLH1ALOX15SMN1; SMN2MEN1CYP1A2
SCHEMBL466294 0.95 C3AR1 (0.40) FOLH1ALOX15SMN1; SMN2MEN1CYP1A2
Acetic Acid SCHEMBL2304560 0.90 FOLH1 (0.39) FOLH1ALOX15SMN1; SMN2MEN1CYP1A2
SCHEMBL30516542 0.87 TGFBR1 (0.33) FOLH1ALOX15SMN1; SMN2MEN1CYP1A2
SCHEMBL8662167 0.86 GNPAT (0.45) FOLH1ALOX15SMN1; SMN2MEN1CYP1A2
SCHEMBL8663718 0.86 GNPAT (0.45) FOLH1ALOX15SMN1; SMN2MEN1CYP1A2
SCHEMBL25342849 0.86 C3AR1 (0.47) FOLH1SMN1; SMN2MEN1KMT2ANOD1
SCHEMBL8663352 0.85 FOLH1 (0.43) FOLH1ALOX15SMN1; SMN2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060009431-A1 Nitrosated and nitrosylated compounds, compositions and methods use NITROMED, INC. (US) 2006-01-12 US claimed
EP-1603933-A2 NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-12-14 EP claimed
WO-2004098538-A2 NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-11-18 WO claimed
EP-1077692-B1 AMINO ACID STABILIZED GABAPENTIN AND PREGABALIN PREPARATIONS AND PROCESS FOR PREPARING THE SAME WARNER LAMBERT CO (US) 2004-07-28 EP claimed
WO-2002017898-A2 COMPOSITIONS AND METHODS FOR INDUCING VASORELAXATION SACKS MEIR S (US) 2002-03-07 WO claimed
EP-1077692-A1 AMINO ACID STABILIZED GABAPENTIN AND PREGABALIN PREPARATIONS AND PROCESS FOR PREPARING THE SAME Warner-Lambert Company LLC (US) 2001-02-28 EP claimed
WO-1999059573-A1 STABILIZED PHARMACEUTICAL PREPARATIONS OF GAMMA-AMINOBUTYRIC ACID DERIVATIVES AND PROCESS FOR PREPARING THE SAME WARNER-LAMBERT COMPANY (US) 1999-11-25 WO claimed
US-12383522-B2 Baclofen formulations and methods of minimizing patient exposure to metabolite variations AMNEAL PHARMACEUTICALS LLC (US) 2025-08-12 US disclosed
US-11931328-B2 Stabilized formulations of 4-amino-3-substituted butanoic acid derivatives AMNEAL PHARMACEUTICALS LLC (US) 2024-03-19 US disclosed
US-20240082193-A1 BACLOFEN FORMULATIONS AND METHODS OF MINIMIZING PATIENT EXPOSURE TO METABOLITE VARIATIONS AMNEAL PHARMACEUTICALS LLC (US) 2024-03-14 US disclosed
WO-2024010854-A1 RAPID GENERATION OF BREATH-BASED HEALTH REPORTS AND SYSTEMS FOR USE IN THE SAME DIAGNOSE EARLY, INC. (US) 2024-01-11 WO disclosed
US-11850225-B2 Baclofen formulations and methods of minimizing patient exposure to metabolite variations AMNEAL PHARMACEUTICALS LLC (US) 2023-12-26 US disclosed
US-20230218554-A1 STABILIZED FORMULATIONS OF 4-AMINO-3-SUBSTITUTED BUTANOIC ACID DERIVATIVES AMNEAL PHARMACEUTICALS LLC (US) 2023-07-13 US disclosed
EP-1351674-A1 PHARMACOTHERAPY FOR VASCULAR DYSFUNCTION ASSOCIATED WITH DEFICIENT NITRIC OXIDE BIOACTIVITY CORNELL RESEARCH FOUNDATION, INC. (US) 2003-10-15 EP disclosed
US-20030073747-A1 Reversing or preventing premature vascular senescence NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-17 US disclosed
WO-2002017898-A2 COMPOSITIONS AND METHODS FOR INDUCING VASORELAXATION SACKS MEIR S (US) 2002-03-07 WO disclosed
WO-2001078717-A1 PHARMACOTHERAPY FOR VASCULAR DYSFUNCTION ASSOCIATED WITH DEFICIENT NITRIC OXIDE BIOACTIVITY CORNELL RESEARCH FOUNDATION, INC. (US) 2001-10-25 WO disclosed
EP-1140854-A2 METHODS FOR THE SYNTHESIS OF ALPHA-HYDROXY-BETA-AMINO ACID AND AMIDE DERIVATIVES CORVAS INTERNATIONAL, INC. (US) 2001-10-10 EP disclosed
WO-2000035868-A2 METHODS FOR THE SYNTHESIS OF ALPHA-HYDROXY-BETA-AMINO ACID AND AMIDE DERIVATIVES CORVAS INTERNATIONAL, INC. (US) 2000-06-22 WO disclosed
EP-0413528-A1 Amphoteric compositions and polymeric forms of alpha hydroxyacids, and their therapeutic use Yu, Ruey J., Dr. (US) 1991-02-20 EP 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 (7 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-20240082193-A1 BACLOFEN FORMULATIONS AND METHODS OF MINIMIZING PATIENT EXPOSURE TO METABOLITE VARIATIONS GABRB1, GABRB2, GABBR1 FOLH1 762/4885ALOX15 960/4885SMN1; SMN2 32/4885
US-12383522-B2 Baclofen formulations and methods of minimizing patient exposure to metabolite variations GABRB1, GABRB2, GABBR1 FOLH1 762/4885ALOX15 960/4885SMN1; SMN2 32/4885
US-20060009431-A1 Nitrosated and nitrosylated compounds, compositions and methods use TBXA2R, TXNRD3, NOS3 FOLH1 4849/4885ALOX15 120/4885SMN1; SMN2 2553/4885
US-11931328-B2 Stabilized formulations of 4-amino-3-substituted butanoic acid derivatives GABRA6, GABBR1, GABBR2 FOLH1 3325/4885ALOX15 857/4885SMN1; SMN2 54/4885
US-20030073747-A1 Reversing or preventing premature vascular senescence AGER, GLA, POT1 FOLH1 2744/4885ALOX15 1264/4885SMN1; SMN2 1990/4885
US-11850225-B2 Baclofen formulations and methods of minimizing patient exposure to metabolite variations GABRB1, GABRB2, GABBR1 FOLH1 722/4885ALOX15 963/4885SMN1; SMN2 35/4885
US-20230218554-A1 STABILIZED FORMULATIONS OF 4-AMINO-3-SUBSTITUTED BUTANOIC ACID DERIVATIVES GABRA6, GABBR1, GABBR2 FOLH1 3325/4885ALOX15 857/4885SMN1; SMN2 54/4885

“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.