SCHEMBL21962236

SCHEMBL21962236

CNCc1ccc(S(N)(=O)=NC(=O)Cc2c(-c3ccccc3)ccc3c2CCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
METAP2 P50579 2/20 0.35
NLRP3 Q96P20 3/20 0.34
HTT P42858 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL25067101 1.00 KMT2A (0.39) KMT2ACA1CA2CA12CA9
SCHEMBL22014433 0.80 RXRA (0.34) KMT2AMETAP2RXRARXRBRXRG
SCHEMBL22014359 0.74 RORC (0.39) KMT2ACA1CA2CA12CA9
SCHEMBL20681349 0.72 NLRP3 (0.47) NLRP3
SCHEMBL30244103 0.72 NLRP3 (0.47) NLRP3
SCHEMBL30243780 0.72 NLRP3 (0.47) NLRP3
SCHEMBL22014435 0.71 POLB (0.36) KMT2AMETAP2RXRARXRBRXRG
SCHEMBL21962077 0.70 RXRB (0.43) KMT2AMETAP2HTTRXRARXRB
SCHEMBL22012360 0.70 NLRP3 (0.45) NLRP3
SCHEMBL30244176 0.70 NLRP3 (0.45) NLRP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
EP-3880658-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102574-A1 THE 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KMT2A 4479/4885CA1 3832/4885CA2 1522/4885

“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.