SCHEMBL25014722

SCHEMBL25014722

CC(C)(C)c1ccc2c(c1)S(=N)(=O)NC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G1B P04054 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CA12 O43570 12/20 0.39
CA9 Q16790 12/20 0.39
CA2 P00918 9/20 0.36
CA1 P00915 5/20 0.36
CA7 P43166 4/20 0.36

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
SCHEMBL22011242 0.88 NLRP3 (0.41) KMT2AMEN1CA12CA9CA2
SCHEMBL22011241 0.88 NLRP3 (0.41) KMT2AMEN1CA12CA9CA2
SCHEMBL16419114 0.83 CA12 (0.57) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL22011237 0.78 CA12 (0.47) ALDH1A1RELAKMT2AMEN1CA12
SCHEMBL25014631 0.75 CA12 (0.38) KMT2ACA12CA9CA2CA1
SCHEMBL25014902 0.75 CHEK1 (0.59) ALDH1A1RELAKMT2ACA12CA9
SCHEMBL22010260 0.75 CA9 (0.47) KMT2ACA12CA9CA2CA1
SCHEMBL22010623 0.74 MAOA (0.44) NPC1ALDH1A1RAB9AL3MBTL1KMT2A
SCHEMBL16283453 0.73 CHEK1 (0.57) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL22011240 0.72 KMT2A (0.47) ALDH1A1CASP3KMT2AMEN1CA12

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-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 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-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NPC1 46/4885ALDH1A1 2065/4885PLA2G1B 1655/4885

“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.