SCHEMBL3940642

SCHEMBL3940642

O=C(N[C@H](CO)CCO)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.53
PRKACA P17612 2/20 0.50
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
PRKX P51817 2/20 0.50
ROCK1 Q13464 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
CTSG P08311 1/20 0.50
ROCK2 O75116 1/20 0.50
RPS6KA5 O75582 1/20 0.50
RPS6KA4 O75676 1/20 0.50
MAPK1 P28482 1/20 0.50
IRAK1 P51617 1/20 0.50
PRKG1 Q13976 1/20 0.50
PKN2 Q16513 1/20 0.50
SGK2 Q9HBY8 1/20 0.50
HPGD P15428 2/20 0.49
SLC1A2 P43004 1/20 0.49
CDK8 P49336 1/20 0.47
PRKCQ Q04759 1/20 0.47

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
SCHEMBL29167801 1.00 CTRB1 (0.53) CTRB1PRKACAGSK3AGSK3BPRKX
SCHEMBL3941746 1.00 CTRB1 (0.53) CTRB1PRKACAGSK3AGSK3BPRKX
SCHEMBL6355600 0.90 CTRB1 (0.50) CTRB1PRKACAGSK3AGSK3BPRKX
SCHEMBL10818802 0.89 CTRB1 (0.44) CTRB1PRKACAGSK3AGSK3BPRKX
SCHEMBL6342085 0.89 CTRB1 (0.59) CTRB1PRKACAGSK3AGSK3BPRKX
SCHEMBL21362720 0.86 CTRB1 (0.50) CTRB1PRKACAGSK3AGSK3BPRKX
SCHEMBL11203933 0.85 CTRB1 (0.69) CTRB1PRKACAGSK3AGSK3BPRKX
SCHEMBL13875451 0.83 CES1 (0.42) CTRB1PRKACAGSK3AGSK3BPRKX
SCHEMBL3132363 0.82 CTRB1 (0.47) CTRB1PRKACAGSK3AGSK3BPRKX
SCHEMBL15304889 0.82 MEN1 (0.54) CTRB1PRKACAGSK3AGSK3BPRKX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117647598-A High performance liquid analysis method for enantiomer of (S) -3-amino tetrahydrofuran and intermediate 上海司太立制药有限公司 2024-03-05 CN claimed
CN-117647598-A High performance liquid analysis method for enantiomer of (S) -3-amino tetrahydrofuran and intermediate 上海司太立制药有限公司 2024-03-05 CN disclosed
US-10421734-B1 Process for the preparation of enantiopure 3-amino tetrahydrofuran and its salts SAMI LABS LIMITED (IN) 2019-09-24 US 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-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-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
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
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
US-20050043396-A1 5-Benzoylamino-1,3-dioxacyclanes, the method for preparing the same and their use as PKC inhibitor ZEN HAYLEY (CN) 2005-02-24 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 CTRB1 1564/4885PRKACA 2730/4885GSK3A 4828/4885
US-10421734-B1 Process for the preparation of enantiopure 3-amino tetrahydrofuran and its salts AASDHPPT, AAAS, AADAT CTRB1 3706/4885PRKACA 4576/4885GSK3A 4577/4885
US-20050043396-A1 5-Benzoylamino-1,3-dioxacyclanes, the method for preparing the same and their use as PKC inhibitor PRKCA, PRKCD, PRKCB CTRB1 4655/4885PRKACA 9/4885GSK3A 328/4885

“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.