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SCHEMBL3103764

SCHEMBL3103764

CC(OC(=O)C=Cc1ccccc1)OC(=O)NC1(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CA12 O43570 1/20 0.41
▸ AKR1B10 O60218 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ MMP1 P03956 2/20 0.39
▸ EGFR P00533 2/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL3103748 1.00 KMT2A (0.43) KMT2AMEN1CA12AKR1B10CA1
SCHEMBL3098391 0.88 KMT2A (0.42) KMT2AMEN1CA12AKR1B10CA1
SCHEMBL3098404 0.88 KMT2A (0.42) KMT2AMEN1CA12AKR1B10CA1
SCHEMBL3103753 0.78 AKR1B10 (0.57) KMT2AMEN1CA12AKR1B10CA1
SCHEMBL3103768 0.78 AKR1B10 (0.57) KMT2AMEN1CA12AKR1B10CA1
SCHEMBL3100600 0.75 TSHR (0.52) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9789630 0.74 AKR1B10 (0.50) KMT2AMEN1CA12AKR1B10CA1
SCHEMBL9789627 0.74 AKR1B10 (0.50) KMT2AMEN1CA12AKR1B10CA1
SCHEMBL28996735 0.74 AKR1B10 (0.53) KMT2AMEN1CA12AKR1B10CA1
Isopropyl Cinnamate SCHEMBL133104 0.72 AKR1B10 (0.72) KMT2AMEN1CA12AKR1B10CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531572-B2 Acyloxyalkyl carbamate prodrugs of α-amino acids, methods of synthesis and use XENOPORT, INC. (US) 2009-05-12 — — US claimed
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use XENOPORT, INC. 2008-02-28 — — US claimed
US-7799829-B2 Acyloxyalkyl carbamate prodrugs of α-amino acids, methods of synthesis and use XENOPORT, INC. (US) 2010-09-21 — — US disclosed
US-20090192225-A1 Acyloxyalkyl Carbamate Prodrugs of Alpha-Amino Acids, Methods of Synthesis and Use XENOPORT, INC. (US) 2009-07-30 — — US disclosed
US-7531572-B2 Acyloxyalkyl carbamate prodrugs of α-amino acids, methods of synthesis and use XENOPORT, INC. (US) 2009-05-12 — — US disclosed
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use XENOPORT, INC. 2008-02-28 — — 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 (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-20090192225-A1 Acyloxyalkyl Carbamate Prodrugs of Alpha-Amino Acids, Methods of Synthesis and Use ASNS, ASPH, DNPEP KMT2A 1398/4885MEN1 2265/4885CA12 821/4885
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use ASNS, ASPH, DNPEP KMT2A 1398/4885MEN1 2265/4885CA12 821/4885

“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.