SCHEMBL22720485

SCHEMBL22720485

CC(C)(C)OC(=O)N1CC(=C=O)CC(=C=O)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR2 Q92731 1/20 0.39
NR1H2 P55055 4/20 0.38
MAPK1 P28482 1/20 0.38
HDAC1 Q13547 1/20 0.37
HPGD P15428 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL28646112 0.93 USP2 (0.46) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL15464058 0.83 ESR2 (0.50) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL28059941 0.80 ESR2 (0.45) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL14795217 0.79 USP2 (0.51) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL22720419 0.77 NR1H2 (0.40) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL2292608 0.77 USP2 (0.52) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL28471732 0.76 NR1H2 (0.54) USP2SMN1; SMN2NR1H2HDAC1HPGD
SCHEMBL995131 0.76 USP2 (0.52) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL17080478 0.75 USP2 (0.50) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL13801225 0.75 USP2 (0.50) USP2SMN1; SMN2ESR2NR1H2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12497396-B2 Nitrogen-containing heterocyclic derivatives, method therefor and application therefor as inhibitors of KRAS G12C for the treatment of cancers SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-12-16 US disclosed
US-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2022-07-07 US disclosed
EP-3978490-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-04-06 EP disclosed
CN-113423703-A Nitrogen-containing heterocyclic derivative regulator, and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-09-21 CN disclosed
WO-2020239077-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2020-12-03 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-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KRAS, NRAS, GNAQ USP2 2996/4885SMN1; SMN2 1129/4885ESR2 3986/4885
US-12497396-B2 Nitrogen-containing heterocyclic derivatives, method therefor and application therefor as inhibitors of KRAS G12C for the treatment of cancers KRAS, NRAS, GNAQ USP2 3732/4885SMN1; SMN2 1123/4885ESR2 3755/4885

“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.