SCHEMBL7308713

SCHEMBL7308713

CCOC(=O)[C@H](CCO)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
CTSK P43235 5/20 0.47
CTSS P25774 4/20 0.47
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
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
SCHEMBL13560958 0.89 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL29508434 0.89 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL14483921 0.89 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL24214307 0.88 CTSK (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL1343403 0.88 CTSK (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL6296123 0.88 CTSK (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL29399499 0.87 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL8211606 0.87 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL5147736 0.87 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL939021 0.87 CTSK (0.46) CYP1A2CYP2C9CYP2C19HTTCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024198077-A1 AMINO ACID DERIVATIVE AND PREPARATION METHOD THEREFOR, AND METHOD FOR USING AMINO ACID DERIVATIVE AS INTERMEDIATE TO SYNTHESIZE L-GLUFOSINATE-AMMONIUM 南京华狮新材料有限公司 2024-10-03 WO disclosed
CN-118724766-A Amino acid derivative, preparation method thereof and method for synthesizing L-glufosinate-ammonium as intermediate 南京华狮新材料有限公司 2024-10-01 CN disclosed
US-10919840-B2 Diamine crosslinking agents, crosslinked acidic polysaccharides and medical materials SEIKAGAKU CORPORATION (JP) 2021-02-16 US disclosed
EP-3101064-B1 DIAMINE CROSSLINKING AGENT, ACIDIC POLYSACCHARIDE CROSSLINKED BODY, AND MEDICAL MATERIAL SEIKAGAKU KOGYO CO LTD (JP) 2020-07-15 EP disclosed
US-20190345312-A1 DIAMINE CROSSLINKING AGENTS, CROSSLINKED ACIDIC POLYSACCHARIDES AND MEDICAL MATERIALS SEIKAGAKU CORPORATION (JP) 2019-11-14 US disclosed
US-20170001948-A1 DIAMINE CROSSLINKING AGENTS, CROSSLINKED ACIDIC POLYSACCHARIDES AND MEDICAL MATERIALS SEIKAGAKU CORPORATION (JP) 2017-01-05 US disclosed
EP-3101064-A1 DIAMINE CROSSLINKING AGENT, ACIDIC POLYSACCHARIDE CROSSLINKED BODY, AND MEDICAL MATERIAL Seikagaku Corporation (JP) 2016-12-07 EP disclosed
CN-103153968-B Triazole derivative and pharmaceutical composition containing same and having analgesic effect SHIONOGI & CO.,LTD. (JP) 2016-02-03 CN disclosed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 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-20170001948-A1 DIAMINE CROSSLINKING AGENTS, CROSSLINKED ACIDIC POLYSACCHARIDES AND MEDICAL MATERIALS SAT1, ACMSD, ADM2 CYP1A2 3928/4885CYP2C9 2588/4885CYP2C19 3401/4885
US-10919840-B2 Diamine crosslinking agents, crosslinked acidic polysaccharides and medical materials SAT1, ACMSD, ADM2 CYP1A2 3928/4885CYP2C9 2588/4885CYP2C19 3401/4885

“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.