SCHEMBL21893841

SCHEMBL21893841

N/[SH](=O)=N\C(=O)Nc1c2c(cc3c1C(O)CC3)CCC2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 16/20 0.46
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GSTO1 P78417 1/20 0.34

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
SCHEMBL25031965 0.87 NLRP3 (0.38) NLRP3ALDH1A1ATMSMN1; SMN2GSTO1
SCHEMBL22002684 0.86 NLRP3 (0.45) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL25031407 0.86 NLRP3 (0.46) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22012490 0.84 NLRP3 (0.43) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL23481781 0.78 NLRP3 (0.37) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22002748 0.73 NLRP3 (0.48) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22012462 0.73 NLRP3 (0.47) NLRP3ALDH1A1
SCHEMBL22002808 0.69 NLRP3 (0.44) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL21893007 0.69
SCHEMBL21892963 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-15 US disclosed
US-20230062815-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-11203579-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2021-12-21 US disclosed
US-20210171477-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2021-06-10 US disclosed
US-10654816-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-19 US disclosed
US-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2020-03-19 US 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 (7 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-20230062815-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885ALDH1A1 1972/4885ATM 3677/4885
US-11203579-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP3, NLRP1, IAPP NLRP3 1/4885ALDH1A1 3482/4885ATM 1302/4885
US-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885ALDH1A1 1972/4885ATM 3677/4885
US-20210171477-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP3, NLRP1, IAPP NLRP3 1/4885ALDH1A1 3482/4885ATM 1302/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885ALDH1A1 1999/4885ATM 3588/4885
US-10654816-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 NLRP3 2/4885ALDH1A1 1972/4885ATM 3677/4885
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 NLRP3 2/4885ALDH1A1 1972/4885ATM 3677/4885

“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.