SCHEMBL21963005

SCHEMBL21963005

COC(=O)CCSc1cnc(C(C)(C)O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 11/20 0.44
CCNE1 P24864 11/20 0.44
CDK2 P24941 11/20 0.44
PTGS1 P23219 1/20 0.44
CCNB2 O95067 6/20 0.41
CDK1 P06493 6/20 0.41
CDK4 P11802 6/20 0.41
CCNB1 P14635 6/20 0.41
CCND1 P24385 6/20 0.41
CCNB3 Q8WWL7 6/20 0.41
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
HSD17B10 Q99714 1/20 0.34
CCND3 P30281 3/20 0.34
NOTUM Q6P988 1/20 0.34
GSTP1 P09211 1/20 0.34
GSTM2 P28161 1/20 0.34
CCND2 P30279 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33

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
SCHEMBL21963023 0.85 CCNE2 (0.44) CCNE2CCNE1CDK2PTGS1CCNB2
SCHEMBL16724105 0.79 SMN1; SMN2 (0.41) CCNE2CCNE1CDK2PTGS1CCNB2
SCHEMBL12292 0.76 CCNE1 (0.59) CCNE2CCNE1CDK2PTGS1CCNB2
SCHEMBL9097022 0.75 CA2 (0.45) CCNE2CCNE1CDK2PTGS1CCNB2
SCHEMBL16724117 0.73 CCNE1 (0.44) CCNE2CCNE1CDK2PTGS1CCNB2
SCHEMBL2038320 0.72 PTGS1 (0.38) CCNE2CCNE1CDK2PTGS1CCNB2
SCHEMBL16086926 0.70 CDK2 (0.49) CCNE2CCNE1CDK2PTGS1CCNB2
SCHEMBL10594957 0.70 PTGS1 (0.40) PTGS1CXCR1CXCR2HSD17B10GSTP1
SCHEMBL9627350 0.70 PTGS1 (0.40) PTGS1CXCR1CXCR2HSD17B10GSTP1
SCHEMBL970491 0.69 PTGS1 (0.39) CCNE2CCNE1CDK2PTGS1CXCR1

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
EP-3880673-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230025630-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 US disclosed
US-20230025630-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 US disclosed
EP-3880673-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113015730-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-06-22 CN disclosed
WO-2020102098-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102098-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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 (1 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-20230025630-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CCNE2 4837/4885CCNE1 4866/4885CDK2 4698/4885

“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.