SCHEMBL22770531

SCHEMBL22770531

CC(C)(C)OC(=O)N1CCC2(CC1)COC(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MGLL Q99685 14/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40

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
SCHEMBL20695353 0.86 MGLL (0.41) USP2SMN1; SMN2MGLL
SCHEMBL28751835 0.84 MKNK1 (0.40) USP2SMN1; SMN2MGLLKDM4EMAPT
SCHEMBL12501315 0.81 USP2 (0.47) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL7010905 0.80 USP2 (0.46) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL20355303 0.78 USP2 (0.43) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL15447211 0.77 DDB1 (0.47) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL18319196 0.76 USP2 (0.43) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL7309370 0.75 USP2 (0.53) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL2028457 0.75 DDB1 (0.45) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL15798840 0.74 USP2 (0.50) USP2SMN1; SMN2KDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969977-A PAN-KRAS inhibitors 北京华森英诺生物科技有限公司 2023-10-31 CN disclosed
CN-116731045-A KRAS inhibitor, preparation method and application thereof 北京华森英诺生物科技有限公司 2023-09-12 CN disclosed
EP-3727378-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME LLC (US) 2023-02-22 EP disclosed
US-11179389-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2021-11-23 US disclosed
US-11179389-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2021-11-23 US disclosed
US-20200390760-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2020-12-17 US disclosed
US-20200390760-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2020-12-17 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-20200390760-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA USP2 3986/4885SMN1; SMN2 4497/4885MGLL 3507/4885
US-11179389-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA USP2 3986/4885SMN1; SMN2 4497/4885MGLL 3507/4885

“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.