SCHEMBL3943718

SCHEMBL3943718

CN(C(=O)c1ccccc1)[C@@](C)(CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.40
HSD11B1 P28845 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KIF11 P52732 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL6499020 0.76 POLB (0.55) CYP2C19ALDH1A1HPGDPOLBMAPT
SCHEMBL27138796 0.73 RIPK1 (0.47) CYP2C19HIF1AALDH1A1KMT2AMEN1
SCHEMBL12360014 0.73 POLB (0.47) ALDH1A1HPGDPOLBHSD11B1KMT2A
SCHEMBL5813853 0.72 HMGCR (0.46) CYP2C19HIF1AALDH1A1CYP2D6
SCHEMBL4039494 0.71 ALDH1A1 (0.58) HIF1AALDH1A1HPGDMAPTHSD11B1
SCHEMBL30062 0.71 ALDH1A1 (0.58) HIF1AALDH1A1HPGDMAPTHSD11B1
SCHEMBL8067400 0.71 POLB (0.42) CYP2C19HIF1AALDH1A1HPGDPOLB
SCHEMBL22147214 0.71 ALDH1A1 (0.45) CYP2C19ALDH1A1HPGDPOLBMAPT
SCHEMBL8459977 0.71 ALDH1A1 (0.41) CYP2C19ALDH1A1HPGDPOLBMAPT
SCHEMBL6279720 0.71 NR1H3 (0.50) ALDH1A1HPGDPOLBHSD11B1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116735753-A Detection method of benzoyl-L-aspartic acid dimethyl ester enantiomer 上海司太立制药有限公司 2023-09-12 CN claimed
US-11186541-B2 Potent inhibitors of aspartate N-acetyl-transferase for the treatment of Canavan disease THE UNIVERSITY OF TOLEDO (US) 2021-11-30 US disclosed
US-20200270202-A1 POTENT INHIBITORS OF ASPARTATE N-ACETYL-TRANSFERASE FOR THE TREATMENT OF CANAVAN DISEASE THE UNIVERSITY OF TOLEDO (US) 2020-08-27 US disclosed
WO-2017172476-A1 POTENT INHIBITORS OF ASPARTATE N-ACETYL-TRANSFERASE FOR THE TREATMENT OF CANAVAN DISEASE THE UNIVERSITY OF TOLEDO (US) 2017-10-05 WO disclosed
US-7514573-B2 Processes for the manufacture of chiral and racemic forms of 3-aminotetrahydrofurans, their salts and derivatives SAMI LABS LTD (IN) 2009-04-07 US disclosed
US-20080255377-A1 reduction of diesters of aspartic acid, then cyclization with the aid of sulfonic acids, hydrolysis using a base to give 3-(S)-aminotetrahydrofuran as its hydrochloride or p-toluenesulfonate salt, or as base itself MAJEED MUHAMMED 2008-10-16 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-20080255377-A1 reduction of diesters of aspartic acid, then cyclization with the aid of sulfonic acids, hydrolysis using a base to give 3-(S)-aminotetrahydrofuran as its hydrochloride or p-toluenesulfonate salt, or as base itself AASDHPPT, DNPEP, ASNS CYP2C19 3719/4885HIF1A 4818/4885ALDH1A1 1461/4885
US-20200270202-A1 POTENT INHIBITORS OF ASPARTATE N-ACETYL-TRANSFERASE FOR THE TREATMENT OF CANAVAN DISEASE GOT1, ACAT1, GOT2 CYP2C19 4450/4885HIF1A 3528/4885ALDH1A1 1848/4885
US-11186541-B2 Potent inhibitors of aspartate N-acetyl-transferase for the treatment of Canavan disease GOT1, ACAT1, GOT2 CYP2C19 4450/4885HIF1A 3528/4885ALDH1A1 1848/4885

“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.