SCHEMBL24977979

SCHEMBL24977979

CC(C)(C)c1c2c(nc(CCC(C)(C)c3c4c(nc(C(F)(F)F)c3-c3ccccc3)CCC4)c1C(F)(F)F)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 7/20 0.33
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
ACHE P22303 4/20 0.33
HPGD P15428 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ADORA2A P29274 1/20 0.33
FPR1 P21462 1/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL22019961 0.84 LMNA (0.49) MAPK1LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL22019724 0.72 MAPK1 (0.54) MAPK1LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL24978509 0.71 LMNA (0.48) MAPK1LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL22020129 0.69 ACHE (0.54) MAPK1LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL30162655 0.69 ACHE (0.54) MAPK1LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL24978099 0.68 LMNA (0.34) MAPK1LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL24977965 0.68 MAPK1 (0.49) MAPK1LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL24977966 0.67 SMN1; SMN2 (0.42) MAPK1LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL22020516 0.63 MAPT (0.39) MAPK1LMNAKDM4EHSD17B10ALDH1A1
SCHEMBL24978541 0.61 SMN1; SMN2 (0.39) MAPK1LMNAKDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 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 (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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAPK1 1647/4885LMNA 1699/4885KDM4E 4525/4885

“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.