SCHEMBL20565289

SCHEMBL20565289

COC(=O)CN(Cc1ccccc1C=O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
AKT1 P31749 2/20 0.33
NR1D1 P20393 1/20 0.33
CASR P41180 1/20 0.33
ELANE P08246 1/20 0.33
PRTN3 P24158 1/20 0.33
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 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
SCHEMBL3406057 0.82 HDAC3 (0.39) HDAC3HDAC1HDAC2NCOR2KDM4E
SCHEMBL23257193 0.79 HDAC3 (0.37) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL31039445 0.79 HDAC3 (0.37) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL23257383 0.79 HTR2C (0.41) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL29814142 0.79 HTR2C (0.41) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL3398769 0.78 CA2 (0.46) NR1D1
SCHEMBL21521286 0.78 POLB (0.40) HDAC3HDAC1HDAC2NCOR2KDM4E
SCHEMBL20564929 0.76 MEN1 (0.42) HDAC3HDAC1HDAC2NCOR2KDM4E
SCHEMBL12894958 0.76 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL21257735 0.76 REN (0.35) HDAC3HDAC1HDAC2NCOR2MEN1

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
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
US-11400081-B2 Compounds THE UNIVERSITY OF SHEFFIELD (GB) 2022-08-02 US disclosed
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 US disclosed
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 US disclosed
EP-3628045-A1 COMPOUNDS The University Of Sheffield (GB) 2020-04-01 EP disclosed
CN-110891951-A Compound (I) 谢菲尔德大学 2020-03-17 CN disclosed
WO-2018211275-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2018-11-22 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-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 HDAC3 4486/4885HDAC1 3959/4885HDAC2 4258/4885
US-11400081-B2 Compounds MRGPRX2, MC2R, ADM2 HDAC3 4486/4885HDAC1 3959/4885HDAC2 4258/4885

“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.