SCHEMBL3665720

SCHEMBL3665720

CCC(NC(C)=O)(C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
KDM4E B2RXH2 2/20 0.45
THRB P10828 2/20 0.44
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.40
RECQL P46063 1/20 0.40
ATM Q13315 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4C Q9H3R0 1/20 0.33
MMP8 P22894 1/20 0.33
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
CYP1A2 P05177 1/20 0.31
FFAR3 O14843 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA2 P00918 1/20 0.30
PTGS1 P23219 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
SCHEMBL16571690 0.91 PKM (0.42) PKMKDM4ETHRBHTTALDH1A1
SCHEMBL1863608 0.82 PKM (0.68) PKMKDM4ETHRBHTTALDH1A1
SCHEMBL10859847 0.80 KMT2A (0.41) PKMKDM4ETHRBHTTALDH1A1
SCHEMBL7333555 0.76 PKM (0.35) PKMKDM4ETHRBHTTALDH1A1
SCHEMBL11257336 0.75 PKM (0.39) PKMKDM4ETHRBHTTALDH1A1
SCHEMBL30371888 0.75 PKM (0.37) PKMKDM4ETHRBHTTALDH1A1
SCHEMBL5607969 0.73 NAALAD2 (0.47) PKMKDM4ETHRBHTTALDH1A1
SCHEMBL28759662 0.73 MEN1 (0.30) THRBALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13544391 0.73 NAALAD2 (0.47) PKMKDM4ETHRBHTTALDH1A1
SCHEMBL17439190 0.73 PKM (0.35) PKMKDM4ETHRBHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994853-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 Atherogenics, Inc. (US) 2000-04-26 EP claimed
WO-1998051662-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 ATHEROGENICS, INC. (US) 1998-11-19 WO claimed
EP-0035949-B1 TEXTILE FILTER FOR FLOWS OF GAS COMPRISING ORGANIC FIBRES GRAFTED WITH ACTIVE MONOMERS DOLLFUS & NOACK (FR) 1984-09-19 EP claimed
WO-1981002530-A1 TEXTILE FILTER FOR GAS FLOW,COMPRISING ORGANIC FIBERS GRAFTED WITH ACTIVE MONOMERS DOLLFUS & NOACK (FR) 1981-09-17 WO claimed
EP-0035949-A1 Textile filter for flows of gas comprising organic fibres grafted with active monomers DOLLFUS & NOACK (FR) 1981-09-16 EP claimed
CN-218653046-U Rectification equipment of acetoacetic acid aminoethyl ester 北京世纪迈劲生物科技有限公司 2023-03-21 CN disclosed
CN-115541734-A Method for determining protected amino acid enantiomer by normal phase chromatography 南京锐志生物医药有限公司 2022-12-30 CN disclosed
CN-113121378-B Synthesis method of acetamino diethyl malonate 湖北宇阳药业有限公司 2022-12-02 CN disclosed
EP-3658546-B1 INDOLE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2022-10-26 EP disclosed
CN-113121378-A Synthesis method of acetamino diethyl malonate 湖北宇阳药业有限公司 2021-07-16 CN disclosed
EP-3658546-A1 INDOLE DERIVATIVES AND USES THEREOF Novartis AG (CH) 2020-06-03 EP disclosed
US-10654828-B2 Indole derivatives and uses thereof NOVARTIS AG (CH) 2020-05-19 US disclosed
CN-1876621-A Novel process for preparing acetamino diethyl malonate ANHUI HORAE NEW TECHNOLOGY DEV (CN) 2006-12-13 CN disclosed
US-6875419-B2 Paramagnetic metal ion-based macrocyclic magnetization transfer contrast agents and method of use BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-04-05 US disclosed
EP-1390079-A2 PARAMAGNETIC METAL ION-BASED MACROCYLIC CONTRAST AGENTS Board of Regents University of Texas System (US) 2004-02-25 EP disclosed
US-20020127182-A1 Paramagnetic metal ion-based macrocylic magnetization transfer contrast agents and method of use BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-09-12 US disclosed
WO-2002043775-A2 PARAMAGNETIC METAL ION-BASED MACROCYCLIC CONTRAST AGENTS GODFREY, Cullen, M. (US) 2002-06-06 WO disclosed
US-4873253-A Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1989-10-10 US disclosed
EP-0284632-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1988-10-05 EP disclosed
EP-0035949-B1 TEXTILE FILTER FOR FLOWS OF GAS COMPRISING ORGANIC FIBRES GRAFTED WITH ACTIVE MONOMERS DOLLFUS & NOACK (FR) 1984-09-19 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 (2 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-20020127182-A1 Paramagnetic metal ion-based macrocylic magnetization transfer contrast agents and method of use MTCH2, HRH3, HRH1 PKM 854/4885KDM4E 4384/4885THRB 503/4885
US-10654828-B2 Indole derivatives and uses thereof MYLK2, MYOF, MUSK PKM 1550/4885KDM4E 2754/4885THRB 849/4885

“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.