SCHEMBL20692196

SCHEMBL20692196

CC(C)Cc1ccc(S(=N)(N)=O)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 4/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 1/20 0.34
PDE10A Q9Y233 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
CHRNA7 P36544 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL30798760 1.00 ESR1 (0.37) ESR1ESR2KDM4EGAAMAPT
SCHEMBL20680923 0.87 CA2 (0.40) ALDH1A1CA12CA1CA2CA4
SCHEMBL20692202 0.84 SMN1; SMN2 (0.37) ESR1ESR2KDM4EGAAMAPT
SCHEMBL20692065 0.77 MEN1 (0.35) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL20681374 0.75 ALDH1A1 (0.34) ESR1ESR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL21810625 0.75
SCHEMBL20692306 0.74 ALDH1A1 (0.54) ESR1KDM4EALDH1A1SMN1; SMN2HTR2A
SCHEMBL21893033 0.72 ALDH1A1 (0.42) ESR1ESR2KDM4EGAAALDH1A1
SCHEMBL21312301 0.70 ESR1 (0.41) ESR1ESR2KDM4EGAAMAPT
SCHEMBL17996823 0.70 ESR1 (0.68) ESR1ESR2KDM4EPDE10A

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 3 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
WO-2019023147-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 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 ESR1 3530/4885ESR2 2842/4885KDM4E 4486/4885

“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.