SCHEMBL992620

SCHEMBL992620

CCC(C#N)(NC(C)=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL25446073 0.82 KDM4E (0.31) KDM4ETHRB
SCHEMBL25291731 0.79 MCL1 (0.30)
SCHEMBL8667674 0.77 ALDH1A1 (0.40) PKMKDM4E
SCHEMBL25932264 0.72 L3MBTL1 (0.35) PKMKDM4ETHRBHTT
SCHEMBL7214346 0.71 PKM (0.33) PKMKDM4ETHRBHTT
SCHEMBL5891307 0.68 PKM (0.50) PKMKDM4ETHRBHTT
SCHEMBL3665720 0.67 PKM (0.45) PKMKDM4ETHRBHTT
SCHEMBL13544391 0.66 NAALAD2 (0.47) PKMKDM4ETHRBHTT
SCHEMBL5607969 0.66 NAALAD2 (0.47) PKMKDM4ETHRBHTT
SCHEMBL17439190 0.66 PKM (0.35) PKMKDM4ETHRBHTT

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
US-8933065-B2 N-benzylamide substituted derivatives of 2-(acylamido)acetic acid and 2-(acylamido)propionic acids: potent neurological agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-01-13 US disclosed
US-20140342989-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-20 US disclosed
US-8829033-B2 N-benzylamide substituted derivatives of 2-(acylamido)acetic acid and 2-(acylamido)propionic acids: potent neurological agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-09 US disclosed
US-20120232015-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-09-13 US disclosed
US-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2011-01-27 US disclosed
US-5986136-A Photolabeling reagent PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-11-16 US disclosed
US-5382485-A Process for storing information CIBA-GEIGY CORPORATION (US) 1995-01-17 US disclosed
US-3985715-A Oxazolidone derivatives of chloromethylated polymers and methods of making the same OWENS-ILLINOIS, INC. (US) 1976-10-12 US disclosed
US-3970603-A Amino acid derivatives of chloromethylated polymers and methods of making the same OWENS-ILLINOIS, INC. (US) 1976-07-20 US disclosed
US-3969284-A Amino acid derivatives of chloromethylated polymers and methods of making the same OWENS-ILLINOIS, INC. (US) 1976-07-13 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-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, GBA1 PKM 1118/4885KDM4E 3304/4885THRB 2680/4885
US-20140342989-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, APEH PKM 1066/4885KDM4E 3119/4885THRB 2451/4885
US-20120232015-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, APEH PKM 1069/4885KDM4E 3105/4885THRB 2503/4885

“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.