SCHEMBL7990045

SCHEMBL7990045

COC(=O)C1CCN(S(C)(=O)=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 1.00
NPSR1 Q6W5P4 2/20 0.55
PKM P14618 1/20 0.55
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL25680984 0.89 TP53 (0.80) TP53NPSR1PKMMAPTALDH1A1
SCHEMBL25939512 0.89 TP53 (0.80) TP53NPSR1PKMMAPTALDH1A1
SCHEMBL12418317 0.85 TP53 (0.73) TP53NPSR1PKMMAPTALDH1A1
SCHEMBL15543572 0.85 TP53 (0.73) TP53NPSR1PKMMAPTALDH1A1
SCHEMBL19750781 0.85 TP53 (0.73) TP53NPSR1MAPTALDH1A1HTT
SCHEMBL3013834 0.85 TP53 (0.73) TP53NPSR1PKMMAPTALDH1A1
SCHEMBL561797 0.80 TP53 (0.67) TP53NPSR1PKMMAPTALDH1A1
SCHEMBL14419946 0.80 TP53 (0.66) TP53NPSR1MAPTALDH1A1HTT
SCHEMBL31167009 0.78 TP53 (0.64) TP53NPSR1PKMMAPTALDH1A1
SCHEMBL12437005 0.78 TP53 (0.63) TP53NPSR1MAPTALDH1A1HTT

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 10 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
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 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-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 TP53 1048/4885NPSR1 97/4885PKM 3603/4885
US-11400081-B2 Compounds MRGPRX2, MC2R, ADM2 TP53 1048/4885NPSR1 97/4885PKM 3603/4885

“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.