SCHEMBL22013585

SCHEMBL22013585

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.38
ALDH1A1 P00352 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC2A1 P11166 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
EDNRB P24530 1/20 0.34

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
SCHEMBL21962297 0.84 LSS (0.42) PTGDR2ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL21893848 0.78 LIMK2 (0.43) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL23851285 0.76 KMT2A (0.54) ALDH1A1CA2LMNAHTTSMN1; SMN2
SCHEMBL22013588 0.75 NR1H3 (0.34) ALDH1A1CA2LMNAHTTSMN1; SMN2
SCHEMBL22013587 0.75 CA2 (0.50) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL26007609 0.74 LIMK2 (0.40) ALDH1A1POLB
SCHEMBL22012926 0.73 ALDH1A1 (0.38) ALDH1A1CA1CA2LMNAHTT
SCHEMBL23851048 0.71 FFAR1 (0.55) CA2LMNAHTTSMN1; SMN2POLB
SCHEMBL23568476 0.71 KMT2A (0.42) ALDH1A1LMNAHTTSMN1; SMN2NPSR1
SCHEMBL21971206 0.71 GAA (0.52) ALDH1A1CA12CA1CA2CA9

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 PTGDR2 3554/4885ALDH1A1 1999/4885CA12 2844/4885

“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.