SCHEMBL22015041

SCHEMBL22015041

CC(C)c1cc(CCC2CCCCC2)cc(C(C)C)c1CC(=O)N=S(N)(=O)c1cc(C(C)(C)O)n(-c2ccccc2)n1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
P2RX7 Q99572 1/20 0.31
ACHE P22303 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL21962069 0.93 SLC16A3 (0.30)
SCHEMBL22014738 0.90 P2RX7 (0.33) FPR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL25066970 0.88 FPR1 (0.31) FPR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL21962109 0.86 FPR1 (0.32) FPR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL25067163 0.85 FPR1 (0.31) FPR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL25067075 0.80
SCHEMBL25067035 0.80 PIK3CD (0.30)
SCHEMBL21962228 0.80 PIK3CD (0.30)
SCHEMBL22014360 0.80 NLRP3 (0.33)
SCHEMBL22014415 0.76 NLRP3 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
WO-2020102574-A1 THE 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 FPR1 17/4885MAPK13 1350/4885MAPK12 1383/4885

“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.