SCHEMBL22013588

SCHEMBL22013588

CN(Cc1ccc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)cc1)CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CA2 P00918 1/20 0.32
RORC P51449 2/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NR1I2 O75469 2/20 0.30
RORA P35398 1/20 0.30
RORB Q92753 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL21810652 0.84 HRH3 (0.37) ALDH1A1CA2TSHR
SCHEMBL22013605 0.84 OPRM1 (0.30) ALDH1A1
SCHEMBL27093008 0.80 TAS2R14 (0.36) ALDH1A1CA2KDM4ELMNASMN1; SMN2
SCHEMBL20692183 0.79 SMN1; SMN2 (0.41) ALDH1A1CA2KDM4EHTTSMN1; SMN2
SCHEMBL22013587 0.79 CA2 (0.50) CA2RORCKDM4ESMN1; SMN2MAPT
SCHEMBL23851047 0.77 CA2 (0.51) CA2LMNAGAAHTTSMN1; SMN2
SCHEMBL22013585 0.75 PTGDR2 (0.38) ALDH1A1HSP90AA1CA2KDM4ELMNA
SCHEMBL21962746 0.74 F10 (0.32) CA2
SCHEMBL21810678 0.74 ALDH1A1 (0.43) ALDH1A1CA2KDM4ELMNASMN1; SMN2
SCHEMBL23568473 0.72 CA2 (0.35) ALDH1A1CA2LMNAHTTSMN1; SMN2

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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NR1H3 409/4885ALDH1A1 1999/4885HSP90AA1 1331/4885

“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.