SCHEMBL20564153

SCHEMBL20564153

CC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
ALDH1A1 P00352 1/20 0.72
TSHR P16473 1/20 0.72
SIGMAR1 Q99720 1/20 0.51
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.47
BTK Q06187 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
POLB P06746 2/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 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
SCHEMBL20564928 0.87 ALDH1A1 (0.79) KMT2AMEN1ALDH1A1TSHRSIGMAR1
SCHEMBL15841183 0.85 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1TSHRSIGMAR1
SCHEMBL22859865 0.85 MEN1 (0.67) KMT2AMEN1ALDH1A1TSHRSIGMAR1
SCHEMBL14395969 0.84 MEN1 (0.66) KMT2AMEN1ALDH1A1TSHRSIGMAR1
SCHEMBL24447412 0.84 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1TSHRSIGMAR1
SCHEMBL21431236 0.84 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1TSHRSIGMAR1
SCHEMBL13369184 0.84 SIGMAR1 (0.55) KMT2AMEN1ALDH1A1TSHRSIGMAR1
SCHEMBL23462520 0.83 MEN1 (0.65) KMT2AMEN1ALDH1A1TSHRSIGMAR1
SCHEMBL28046106 0.83 MEN1 (0.65) KMT2AMEN1ALDH1A1TSHRSIGMAR1
SCHEMBL22859758 0.83 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1TSHRSIGMAR1

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
CN-110891951-B Compounds of formula (I) 谢菲尔德大学 2024-08-20 CN disclosed
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 KMT2A 4639/4885MEN1 11/4885ALDH1A1 1907/4885
US-11400081-B2 Compounds MRGPRX2, MC2R, ADM2 KMT2A 4639/4885MEN1 11/4885ALDH1A1 1907/4885

“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.