SCHEMBL10460554

SCHEMBL10460554

CC(C)C(=O)NNC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL18494021 0.80 POLB (0.31) POLB
SCHEMBL605889 0.76 GAA (0.48) GAAPOLBKDM4EALDH1A1HTT
SCHEMBL22752563 0.73 GAA (0.32) GAA
SCHEMBL154812 0.72 POLB (0.46) GAAPOLBKDM4EALDH1A1
SCHEMBL7122548 0.71 NPSR1 (0.31) GAAALDH1A1
SCHEMBL1760354 0.69
SCHEMBL4553950 0.69
SCHEMBL138983 0.69
SCHEMBL6635180 0.69 ALDH1A1 (0.39) GAAALDH1A1
SCHEMBL6967172 0.67 APLNR (0.49) GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299211-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2021-09-30 US disclosed
US-10300109-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2019-05-28 US disclosed
US-10246491-B2 Peptidomimetic macrocycles and use thereof in regulating HIF1alpha AILERON THERAPEUTICS, INC. (US) 2019-04-02 US disclosed
US-20170266254-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-09-21 US disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-11-10 US disclosed
US-4906661-A Esters of aryloxypropanolamine derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-06 US disclosed
US-4804677-A CARDIOTONIC AGENTS; GLAUCOMA; SIDE-EFFECT REDUCTION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-14 US disclosed
US-4692446-A ADRENERGIC BLOCKING AGENTS E. I. DU PONT DE NEMOURS & CO., INC. (US) 1987-09-08 US disclosed
US-4623652-A ADRENERGIC BLOCKING AGENTS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1986-11-18 US disclosed
EP-0093155-B1 ESTERS OF ARYLOXYPROPANOLAMINE DERIVATIVES AND USE AS BETA-ADRENERGIC BLOCKING AGENTS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1986-08-27 EP disclosed
EP-0093155-A4 ESTERS OF ARYLOXYPROPANOLAMINE DERIVATIVES AND USE AS BETA-ADRENERGIC BLOCKING AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1984-04-24 EP disclosed
EP-0093155-A1 ESTERS OF ARYLOXYPROPANOLAMINE DERIVATIVES AND USE AS BETA-ADRENERGIC BLOCKING AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-11-09 EP disclosed
WO-1983001772-A1 ESTERS OF ARYLOXYPROPANOLAMINE DERIVATIVES AND USE AS 'beta'-ADRENERGIC BLOCKING AGENTS AMERICAN HOSPITAL SUPPLY CORP (US) 1983-05-26 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 (5 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-20170266254-A1 PEPTIDOMIMETIC MACROCYCLES TCF4, CTNNB1, WNT1 GAA 4399/4885POLB 2996/4885KDM4E 1936/4885
US-10246491-B2 Peptidomimetic macrocycles and use thereof in regulating HIF1alpha HIF1A, HIF1AN, EGLN3 GAA 2039/4885POLB 3845/4885KDM4E 2279/4885
US-20210299211-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF MDM2, TP53, TP53BP1 GAA 2540/4885POLB 3290/4885KDM4E 4317/4885
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS KIT, NISCH, FLT3 GAA 2834/4885POLB 2054/4885KDM4E 2842/4885
US-10300109-B2 Peptidomimetic macrocycles TCF4, CTNNB1, WNT1 GAA 4399/4885POLB 2996/4885KDM4E 1936/4885

“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.