SCHEMBL21962070

SCHEMBL21962070

CC(C)c1cc2c(cnn2C)c(C(C)C)c1CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.35
THRB P10828 5/20 0.35
SLC22A12 Q96S37 1/20 0.34
KDM4E B2RXH2 3/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
S1PR2 O95136 1/20 0.32
EGFR P00533 1/20 0.32
MAPK1 P28482 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE4D Q08499 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
SCHEMBL22014860 0.83 RIPK1 (0.31) KDM4EALDH1A1
SCHEMBL21962111 0.73 IDO1 (0.32)
SCHEMBL23809262 0.71 S1PR2 (0.37) THRATHRBSLC22A12KDM4EALDH1A1
SCHEMBL21962582 0.70 KDM4E (0.45) THRATHRBKDM4EGAAALDH1A1
SCHEMBL20681226 0.68 GAA (0.35) THRATHRBSLC22A12KDM4EGAA
SCHEMBL19475213 0.67 EIF4A3 (0.36) THRATHRBKDM4EGAA
SCHEMBL29687503 0.67 AGBL2 (0.37) THRATHRBKDM4EGAA
SCHEMBL23668375 0.67 AGBL2 (0.37) THRATHRBKDM4EGAA
SCHEMBL20874157 0.67 AKR1B1 (0.45) SLC22A12KDM4EALDH1A1MAPTHPGD
SCHEMBL19610490 0.66 CA1 (0.46) THRATHRBKDM4EGAAALDH1A1

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 5 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
CN-113227055-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-06 CN 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 THRA 3649/4885THRB 3477/4885SLC22A12 1047/4885

“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.