SCHEMBL22012032

SCHEMBL22012032

CC(C)(O)c1cc([SH](=O)(Cl)N[Si](C)(C)C(C)(C)C)sc1-c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK14 Q16539 1/20 0.30
PLK1 P53350 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
SCHEMBL22014857 0.71 HPGD (0.33) KDM4EMAPTHPGDHTTHSD17B10
SCHEMBL22014858 0.66 HPGD (0.30) KDM4EMAPTHPGDHTTHSD17B10
SCHEMBL22012029 0.64
SCHEMBL22012027 0.64 PTGS2 (0.35) KDM4EMAPTHPGDHTTHSD17B10
SCHEMBL22014859 0.63 CA2 (0.41) KDM4EMAPTHPGDHTTHSD17B10
SCHEMBL16879279 0.55 LDHA (0.43) KDM4EMAPTHPGD
SCHEMBL23409685 0.54 HSD17B1 (0.46) MAPT
SCHEMBL28163776 0.53 PGR (0.49) KDM4EMAPTHPGDHTTHSD17B10
SCHEMBL977601 0.53 PGR (0.41) MAPT
SCHEMBL12396903 0.52 OPRD1 (0.73) KDM4EMAPTHPGDHTTHSD17B10

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-2020102576-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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KDM4E 4478/4885MAPT 2169/4885HPGD 1793/4885

“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.