SCHEMBL21892909

SCHEMBL21892909

CC(C)c1cc(OC(F)F)cc(C2CC2)c1NC(=O)/N=[SH](=O)/c1ccc(CN(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 2/20 0.30
ACACB O00763 1/20 0.30
MAPT P10636 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
SCHEMBL25033726 0.85 ACACB (0.30) ACACB
SCHEMBL20692429 0.82 ALDH1A1 (0.34) KDM4EALDH1A1HTTACACBMAPT
SCHEMBL26007182 0.82 ALDH1A1 (0.34) KDM4EALDH1A1HTTACACBMAPT
SCHEMBL21893002 0.82 ALDH1A1 (0.34) KDM4EALDH1A1HTTACACBMAPT
SCHEMBL22002716 0.79 LMNA (0.35)
SCHEMBL22012203 0.77 ABL1 (0.32)
SCHEMBL20692266 0.77 KDM4E (0.32) KDM4EALDH1A1HTTACACB
SCHEMBL20692424 0.77
SCHEMBL25033707 0.77 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL21893657 0.76

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 8 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
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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 KDM4E 4525/4885ALDH1A1 1972/4885HTT 2457/4885
US-11203579-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP3, NLRP1, IAPP KDM4E 4554/4885ALDH1A1 3482/4885HTT 808/4885
US-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KDM4E 4525/4885ALDH1A1 1972/4885HTT 2457/4885
US-20210171477-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP3, NLRP1, IAPP KDM4E 4554/4885ALDH1A1 3482/4885HTT 808/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KDM4E 4486/4885ALDH1A1 1999/4885HTT 2668/4885
US-10654816-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 KDM4E 4525/4885ALDH1A1 1972/4885HTT 2457/4885
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 KDM4E 4525/4885ALDH1A1 1972/4885HTT 2457/4885

“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.