SCHEMBL22014641

SCHEMBL22014641

CC(=O)Oc1cc(C(F)(F)F)cc(C)c1CC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BACE1 P56817 1/20 0.39
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
AGBL2 Q5U5Z8 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
NOD2 Q9HC29 1/20 0.33

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
SCHEMBL21962185 0.85 KDM4E (0.51) KDM4EUSP2ALDH1A1HPGDCYP2C19
SCHEMBL21962149 0.83 KDM4E (0.47) KDM4EUSP2ALDH1A1HPGDCYP2C19
SCHEMBL19508129 0.73 PSEN1 (0.39) ALDH1A1MTNR1AMTNR1BPSEN1PSEN2
SCHEMBL21962308 0.72 KDM4E (0.53) KDM4EUSP2ALDH1A1HPGDCYP2C19
SCHEMBL21962052 0.70 BACE1 (0.41) KDM4EUSP2ALDH1A1HPGDCYP2C19
SCHEMBL22774694 0.69 PSEN1 (0.39) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL31045769 0.69 MTNR1A (0.53) KDM4EUSP2ALDH1A1HPGDCYP2C19
SCHEMBL24793016 0.68 MTNR1A (0.59) KDM4EUSP2ALDH1A1HPGDCYP2C19
SCHEMBL20571112 0.68 NOTUM (0.47) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL1817586 0.68 MTNR1A (0.45) KDM4EALDH1A1HPGDHSD17B10MTNR1A

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 2 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
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 KDM4E 4478/4885USP2 3970/4885ALDH1A1 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.