SCHEMBL21962052

SCHEMBL21962052

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.33
KAT6A Q92794 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HSD11B1 P28845 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL21962071 0.85 ALDH1A1 (0.40) KDM4EALDH1A1HPGDCYP2C19MAPT
SCHEMBL21962083 0.81 BACE1 (0.36) BACE1KDM4EALDH1A1USP2HPGD
SCHEMBL21962185 0.76 KDM4E (0.51) BACE1KDM4EALDH1A1USP2HPGD
SCHEMBL22014900 0.73 HTR2A (0.36) CA12CA1CA2CA9
SCHEMBL21962149 0.72 KDM4E (0.47) BACE1KDM4EALDH1A1USP2HPGD
SCHEMBL22014641 0.70 KDM4E (0.45) BACE1KDM4EALDH1A1USP2HPGD
SCHEMBL20698739 0.65 PTGDR2 (0.33) ALDH1A1MAPTKAT6AHSD11B1POLB
SCHEMBL23569250 0.63 CA1 (0.43) KDM4EALDH1A1CA12CA1CA2
SCHEMBL21962308 0.63 KDM4E (0.53) BACE1KDM4EALDH1A1USP2HPGD
SCHEMBL26035206 0.61 CYP2C19 (0.62) BACE1KDM4EALDH1A1USP2HPGD

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 1146/4885KDM4E 4478/4885ALDH1A1 2123/4885

“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.