SCHEMBL22021175

SCHEMBL22021175

NS(=O)(=O)c1cnn(C(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.39
PTGS2 P35354 5/20 0.36
BRD4 O60885 1/20 0.36
APLNR P35414 1/20 0.32
PTGS1 P23219 3/20 0.32
ACHE P22303 1/20 0.32
CA2 P00918 7/20 0.31
CA12 O43570 6/20 0.31
CA9 Q16790 6/20 0.31
CA1 P00915 6/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
CA5A P35218 2/20 0.31
CA7 P43166 2/20 0.31
CA13 Q8N1Q1 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
CA3 P07451 1/20 0.31
PLA2G7 Q13093 1/20 0.31
USP2 O75604 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
SCHEMBL15193589 0.81 KIT (0.36) KITBRD4ACHETSHR
SCHEMBL2418673 0.81 KIT (0.36) KITBRD4ACHETDP1
SCHEMBL12319238 0.81 KIT (0.39) KITPTGS2BRD4ACHE
SCHEMBL21962232 0.74 KIT (0.34) KITBRD4
SCHEMBL23851009 0.73 ACHE (0.36) PTGS2PTGS1ACHECA2CA12
SCHEMBL22015587 0.71 KIT (0.43) KITBRD4ACHECA2CA1
SCHEMBL626824 0.69 CCNC (0.43) PTGS2APLNRCA2CA12CA9
SCHEMBL3262269 0.69
SCHEMBL28663728 0.69
Hydrochloric Acid SCHEMBL14690634 0.68 CCNC (0.43) PTGS2APLNRCA2CA12CA9

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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
WO-2020102096-A1 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 (2 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KIT 3641/4885PTGS2 1131/4885BRD4 1115/4885
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KIT 3369/4885PTGS2 1102/4885BRD4 1009/4885

“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.