SCHEMBL5148908

SCHEMBL5148908

CCOC(=O)C(CCCl)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
CTSK P43235 7/20 0.46
CTSS P25774 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL24924766 1.00 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL30867222 0.90 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL14483921 0.87 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL29508434 0.87 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL13560958 0.87 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL28879791 0.87 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL7308713 0.86 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL29399499 0.86 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL28337005 0.85 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL22207790 0.85 L3MBTL1 (0.49) CYP1A2CYP2C9CYP2C19HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118930476-A Preparation method of (2S, 6R) -6-phenyl-2-piperidine carboxylate 苏州弗莱明生物技术有限公司 2024-11-12 CN disclosed
US-20230257405-A1 METHOD FOR PREPARING GLUFOSINATE OR ANALOGUES THEREOF LIER CHEMICAL CO., LTD. (CN) 2023-08-17 US disclosed
EP-4219512-A1 METHOD FOR PREPARING GLUFOSINATE OR ANALOG THEREOF Lier Chemical Co., Ltd. (CN) 2023-08-02 EP disclosed
WO-2023001132-A1 METHOD FOR PREPARING GLUFOSINATE OR ANALOG THEREOF 利尔化学股份有限公司 2023-01-26 WO disclosed
US-7235687-B2 Derivatives of 4,4′-dithiobis-(3-aminobutane-1-sulfphonates) and compositions containing same INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-06-26 US disclosed
US-7235687-B2 Derivatives of 4,4′-dithiobis-(3-aminobutane-1-sulfphonates) and compositions containing same INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-06-26 US disclosed
US-20060135602-A1 4,4'-dithiobis(sodium 3-aminobutane-1-sulfonate)bis chlorohyrate or 4,4'-dithiobis(2,2 dimethylpropyl)-3-aminobutane-1-sulfonate)bis trifluoroacetate for example; treating arterial hypertension INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-06-22 US disclosed
WO-2004007441-A2 NOVEL DERIVATIVES OF 4,4'-DITHIOBIS-(3-AMINOBUTANE-1-SULPHONATES) AND COMPOSITIONS CONTAINING SAME INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2004-01-22 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 (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-20230257405-A1 METHOD FOR PREPARING GLUFOSINATE OR ANALOGUES THEREOF FPGS, TYMP, GLUL CYP1A2 2533/4885CYP2C9 2151/4885CYP2C19 2407/4885
US-20060135602-A1 4,4'-dithiobis(sodium 3-aminobutane-1-sulfonate)bis chlorohyrate or 4,4'-dithiobis(2,2 dimethylpropyl)-3-aminobutane-1-sulfonate)bis trifluoroacetate for example; treating arterial hypertension CBS, CTH, BHMT2 CYP1A2 1677/4885CYP2C9 852/4885CYP2C19 1909/4885

“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.