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SCHEMBL9086263

SCHEMBL9086263

CN[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ P2RY12 Q9H244 2/20 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
SCHEMBL22355305 0.87 CTSK (0.34) L3MBTL1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL13997581 0.87 CYP1A2 (0.33) L3MBTL1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL5172322 0.86 ANPEP (0.42) CYP1A2KMT2AGAAMEN1ITGA4
SCHEMBL22316568 0.86 ANPEP (0.42) CYP1A2KMT2AGAAMEN1ITGA4
SCHEMBL13876903 0.86 MEN1 (0.40) KMT2ACYP2D6CTSKGAAMEN1
SCHEMBL12267040 0.86 ANPEP (0.42) CYP1A2KMT2AGAAMEN1ITGA4
SCHEMBL17178074 0.86 CYP2D6 (0.34) L3MBTL1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL18575864 0.86 MEN1 (0.40) KMT2ACYP2D6CTSKGAAMEN1
SCHEMBL7403195 0.84 FNTA (0.36) L3MBTL1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL23901540 0.84 CTSK (0.33) L3MBTL1CYP1A2CYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 — — WO disclosed
WO-2017117687-A1 18/19F-LABELLED COMPOUNDS WHICH TARGET THE PROSTATE SPECIFIC MEMBRANE ANTIGEN BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2017-07-13 — — WO disclosed
US-9000037-B2 Precursors of glutamate derivatives PIRAMAL IMAGING SA (CH) 2015-04-07 — — US disclosed
US-20140243532-A1 NOVEL PRECURSORS OF GLUTAMATE DERIVATIVES PIRAMAL IMAGING SA (CH) 2014-08-28 — — US disclosed
US-5561133-A Thymidylate synthase inhibiting quinazolinones BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-10-01 — — US disclosed
EP-0631576-A1 DIPEPTIDYLQUINAZOLONES AS ANTI-CANCER AGENTS BTG INTERNATIONAL LIMITED (GB) 1995-01-04 — — EP disclosed
WO-1993019051-A1 DIPEPTIDYLQUINAZOLONES AS ANTI-CANCER AGENTS BRITISH TECHNOLOGY GROUP LTD (GB) 1993-09-30 — — 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 (1 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-20140243532-A1 NOVEL PRECURSORS OF GLUTAMATE DERIVATIVES GLUL, GRIN1, SLC7A11 L3MBTL1 3869/4885CYP1A2 4844/4885CYP2C9 4729/4885

“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.