SCHEMBL21962083

SCHEMBL21962083

CC(=O)Oc1cc(C(F)(F)F)cc(C)c1CC(=O)N=S(=O)(N[Si](C)(C)C(C)(C)C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IDH1 O75874 4/20 0.33
PPARG P37231 1/20 0.33
RORC P51449 10/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
AVPR2 P30518 1/20 0.31
GPR27 Q9NS67 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL21962052 0.81 BACE1 (0.41) BACE1ALDH1A1HPGDCYP2C19KDM4E
SCHEMBL21962185 0.70 KDM4E (0.51) BACE1ALDH1A1HPGDCYP2C19KDM4E
SCHEMBL22014641 0.68 KDM4E (0.45) BACE1ALDH1A1HPGDCYP2C19KDM4E
SCHEMBL21962149 0.67 KDM4E (0.47) BACE1ALDH1A1HPGDCYP2C19KDM4E
SCHEMBL21962071 0.67 ALDH1A1 (0.40) ALDH1A1HPGDCYP2C19KDM4EPPARG
SCHEMBL20699039 0.66 NLRP3 (0.35)
SCHEMBL22014405 0.64 SMYD3 (0.32)
SCHEMBL20698743 0.64 NLRP3 (0.34)
SCHEMBL28856911 0.59 CYTH2 (0.51) ALDH1A1PPARG
SCHEMBL21962308 0.58 KDM4E (0.53) BACE1ALDH1A1HPGDCYP2C19KDM4E

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
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
EP-3880658-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102574-A1 THE 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 BACE1 1146/4885ALDH1A1 2123/4885HPGD 1793/4885

“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.