SCHEMBL22013587

SCHEMBL22013587

CN(Cc1ccc(S(N)(=O)=O)cc1)CC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.50
RORC P51449 1/20 0.48
CA1 P00915 11/20 0.46
CA9 Q16790 5/20 0.46
CA12 O43570 4/20 0.46
CA7 P43166 4/20 0.46
CA4 P22748 3/20 0.46
CA6 P23280 3/20 0.46
CA5A P35218 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL22013588 0.79 NR1H3 (0.34) CA2RORCMAPTTSHRSMN1; SMN2
SCHEMBL4632355 0.78 PYCR1 (0.41) SMN1; SMN2KDM4E
SCHEMBL16296148 0.77 CA2 (0.61) CA2CA1CA9CA12CA7
SCHEMBL12749574 0.75 PYCR1 (0.52)
SCHEMBL22013585 0.75 PTGDR2 (0.38) CA2CA1CA9CA12SMN1; SMN2
SCHEMBL21962259 0.74 PYCR1 (0.53) TSHRKDM4E
SCHEMBL1472497 0.74 NR1I2 (0.42) TSHRSMN1; SMN2KDM4E
SCHEMBL23032284 0.73 ALDH1A1 (0.52) MAPTTSHRSMN1; SMN2KDM4E
SCHEMBL2475122 0.73 CA2 (0.61) CA2CA1CA9CA12CA7
SCHEMBL28156601 0.73 CA2 (0.57) CA2CA1CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2020102576-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 (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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CA2 1210/4885RORC 90/4885CA1 3732/4885

“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.