SCHEMBL21962847

SCHEMBL21962847

NS(=O)(=O)c1ccc(CN2CCC2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HTT P42858 1/20 0.57
CHKA P35790 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.43
CA2 P00918 3/20 0.43
HTR6 P50406 3/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PRMT6 Q96LA8 1/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3916009 0.80 HRH3 (0.46) ALDH1A1HTTSMN1; SMN2KDM4ECA2
SCHEMBL21962724 0.78 ALDH1A1 (0.44) ALDH1A1HTTCHKASMN1; SMN2CA2
SCHEMBL4101414 0.78 ALDH1A1 (0.89) ALDH1A1HTTCHKASMN1; SMN2KDM4E
SCHEMBL29744376 0.76 CA2 (0.48) SMN1; SMN2KDM4ECA2CA12CA1
SCHEMBL19941004 0.76 CA2 (0.48) SMN1; SMN2KDM4ECA2CA12CA1
SCHEMBL24050785 0.75 CA2 (0.41) CA2CA12CA1CA7CA9
SCHEMBL19938063 0.75 CA2 (0.50) ALDH1A1SMN1; SMN2CA2CA12CA1
Hydrochloric Acid SCHEMBL19859178 0.75 CA2 (0.50) SMN1; SMN2KDM4ECA2CA12CA1
SCHEMBL22012068 0.74 ALDH1A1 (0.46) ALDH1A1HTTCHKASMN1; SMN2KDM4E
SCHEMBL28192273 0.74 ALDH1A1 (0.96) ALDH1A1HTTCHKASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
EP-3880659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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 ALDH1A1 1999/4885HTT 2668/4885CHKA 4097/4885

“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.