SCHEMBL21222698

SCHEMBL21222698

CN(C)CCCNC(=O)C(C)(C)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
TGM2 P21980 1/20 0.47
CTSS P25774 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
FOLH1 Q04609 1/20 0.43

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
SCHEMBL17371252 0.93 MEN1 (0.49) HTTTGM2CTSSSMN1; SMN2LMNA
SCHEMBL4187465 0.86 SMN1; SMN2 (0.50) HTTTGM2CTSSSMN1; SMN2POLB
SCHEMBL17350365 0.85 HTT (0.67) HTTTGM2CTSSSMN1; SMN2LMNA
SCHEMBL29861096 0.84 SMN1; SMN2 (0.50) HTTTGM2CTSSSMN1; SMN2POLB
SCHEMBL6762393 0.83 SYK (0.54) HTTTGM2CTSSSMN1; SMN2POLB
SCHEMBL22729341 0.83 CTSS (0.46) HTTTGM2CTSSSMN1; SMN2LMNA
SCHEMBL6895403 0.81 HTT (0.65) HTTTGM2CTSSSMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL6757610 0.81 MEN1 (0.47) HTTTGM2CTSSSMN1; SMN2POLB
SCHEMBL29813445 0.80 CTSS (0.51) HTTTGM2CTSSSMN1; SMN2LMNA
SCHEMBL9812639 0.80 TGM2 (0.57) HTTTGM2SMN1; SMN2LMNAKEAP1

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
CN-111630058-B Glucopyranosyl derivative and use thereof 广东东阳光药业有限公司 2022-02-15 CN disclosed
US-11186602-B2 Glucopyranosyl derivative and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-11-30 US disclosed
US-20210054013-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-02-25 US disclosed
EP-3747892-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2020-12-09 EP disclosed
CN-111630058-A Glucopyranosyl derivative and use thereof 广东东阳光药业有限公司 2020-09-04 CN disclosed
WO-2019149178-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF 广东东阳光药业有限公司 2019-08-08 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-11186602-B2 Glucopyranosyl derivative and use thereof SLC5A1, SLC5A2, UGGT1 HTT 735/4885TGM2 403/4885CTSS 3368/4885
US-20210054013-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF SLC5A1, SLC5A2, UGGT1 HTT 735/4885TGM2 403/4885CTSS 3368/4885

“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.