SCHEMBL20914733

SCHEMBL20914733

Cc1c(C(C)(C)O)cccc1S(=O)(=O)CC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.38
JAK2 O60674 1/20 0.37
BTK Q06187 1/20 0.37
HSD11B1 P28845 3/20 0.34
LMNA P02545 3/20 0.33
RECQL P46063 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TP53 P04637 1/20 0.32
APEX1 P27695 1/20 0.31

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
SCHEMBL20914719 0.84 ALDH1A1 (0.41) ALDH1A1NPC1HSD11B1LMNARECQL
SCHEMBL19475183 0.77 CDK2 (0.43) ALDH1A1HSD11B1CA12CA1CA2
SCHEMBL29653709 0.76 ALDH1A1 (0.45) ALDH1A1NPC1MEN1KMT2ACA2
SCHEMBL4924795 0.74 ALDH1A1 (0.53) ALDH1A1NPC1HSD11B1MEN1KMT2A
SCHEMBL20914725 0.73 ALDH1A1 (0.49) ALDH1A1NPC1HSD11B1RECQLRAB9A
SCHEMBL20914717 0.71 ALDH1A1 (0.50) ALDH1A1NPC1HSD11B1LMNAKMT2A
SCHEMBL20914736 0.69 ALDH1A1 (0.41) ALDH1A1NPC1HSD11B1LMNACA2
SCHEMBL2422395 0.68 TRPA1 (0.52) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL29843543 0.68 ALDH1A1 (0.59) ALDH1A1NPC1HSD11B1LMNATP53
SCHEMBL11226379 0.67 PLCG1 (0.60) ALDH1A1NPC1RECQLCA1CA2

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 51/4885JAK2 1312/4885

“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.