SCHEMBL21962072

SCHEMBL21962072

CC(C)c1cc(C(F)F)nc(C(C)C)c1CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.33
THRA P10827 9/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
GCGR P47871 2/20 0.32
SLC22A12 Q96S37 1/20 0.32
EIF4A3 P38919 1/20 0.31
FABP3 P05413 1/20 0.30
FABP4 P15090 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 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
SCHEMBL22014869 0.81 MTNR1A (0.33)
SCHEMBL20698991 0.77 KDM4E (0.39) THRBTHRAKDM4EGAA
SCHEMBL20698794 0.75 CAMKK2 (0.34) THRBTHRAKDM4EGAAGCGR
SCHEMBL29687276 0.75 CAMKK2 (0.34) THRBTHRAKDM4EGAAGCGR
SCHEMBL20681236 0.74 FABP3 (0.43) THRBTHRAKDM4EGAAEIF4A3
SCHEMBL30791055 0.74 THRA (0.37) THRBTHRAKDM4EGAAGCGR
SCHEMBL20681310 0.74 THRA (0.37) THRBTHRAKDM4EGAAGCGR
SCHEMBL19475203 0.71 NLRP3 (0.41) THRBTHRAKDM4EGAAEIF4A3
SCHEMBL19610490 0.70 CA1 (0.46) THRBTHRAKDM4EGAAFABP3
SCHEMBL22014867 0.69 TDP1 (0.33)

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 THRB 3477/4885THRA 3649/4885KDM4E 4478/4885

“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.