SCHEMBL20914734

SCHEMBL20914734

CC(C)(O)c1csc(S(=O)(=O)CC(N)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.37
NLRP3 Q96P20 1/20 0.32
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.30
HSD11B1 P28845 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
SCHEMBL19475490 0.78 CA2 (0.34) NLRP3
SCHEMBL21892985 0.75 NLRP3 (0.34) NLRP3
SCHEMBL22012140 0.73 NLRP3 (0.32) NLRP3
SCHEMBL20681411 0.70
SCHEMBL22014915 0.69 CYP3A4 (0.33) ALDH1A1NPC1NLRP3POLBLMNA
SCHEMBL22002754 0.68 NLRP3 (0.32) NLRP3
SCHEMBL28316717 0.67 HCRTR2 (0.33) ALDH1A1NPC1NLRP3POLBLMNA
SCHEMBL20914749 0.65 ALDH1A1 (0.37) ALDH1A1NPC1
SCHEMBL3605034 0.64 SMN1; SMN2 (0.46) ALDH1A1NPC1POLBLMNA
SCHEMBL25139085 0.64 HTR1A (0.39)

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-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 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-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 2176/4885NPC1 51/4885NLRP3 2/4885

“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.