SCHEMBL21962499

SCHEMBL21962499

CNC(=O)OCc1csc(S(N)(=O)=O)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
KDM4E B2RXH2 1/20 0.33
APOBEC3A P31941 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
TOP2A P11388 2/20 0.31
TOP2B Q02880 2/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL21962427 0.83 CA12 (0.31) CA2CA1CA12CA9
SCHEMBL21962258 0.74 CA2 (0.37) CA2CA1CA12
SCHEMBL21962497 0.69 CA2 (0.34) CA2CA1KDM4ECA12CA9
SCHEMBL22012131 0.66 CACNA1G (0.34) CA2CA1CA12CA9
SCHEMBL21962316 0.66 SMN1; SMN2 (0.36) KDM4EAPOBEC3ASMN1; SMN2APOBEC3GTOP2A
SCHEMBL20680977 0.66 ENPP2 (0.41) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL8337993 0.65 ALDH1A1 (0.55) KDM4ESMN1; SMN2
SCHEMBL23093404 0.64 PKM (0.41) SMN1; SMN2HDAC1HDAC8HDAC6HDAC5
SCHEMBL23093403 0.64 MMP2 (0.39) KDM4EAPOBEC3ASMN1; SMN2APOBEC3GHDAC1
SCHEMBL21962738 0.63 GAA (0.41) KDM4EAPOBEC3ASMN1; SMN2APOBEC3GTOP2A

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
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
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

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 1210/4885CA1 3732/4885KDM4E 4486/4885

“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.