SCHEMBL21677282

SCHEMBL21677282

C[C@]1(O)CCC[C@@H](NC(=O)OCc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.57
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
DPP4 P27487 1/20 0.47
KCNH2 Q12809 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ACHE P22303 1/20 0.47
CPB1 P15086 1/20 0.46
TLR4 O00206 1/20 0.46

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
SCHEMBL21677283 1.00 EPHX1 (0.57) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL12633949 0.89 EPHX1 (0.58) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL1881052 0.89 EPHX1 (0.58) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL12633950 0.89 EPHX1 (0.58) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL21945751 0.87 ALDH1A1 (0.60) EPHX1ALDH1A1GAATSHRCTSL
SCHEMBL21945750 0.87 ALDH1A1 (0.60) EPHX1ALDH1A1GAATSHRCTSL
SCHEMBL21946019 0.87 ALDH1A1 (0.60) EPHX1ALDH1A1GAATSHRCTSL
SCHEMBL18940914 0.87 EPHX1 (0.56) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL18940915 0.87 EPHX1 (0.56) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL20064074 0.85 ALDH1A1 (0.65) EPHX1ALDH1A1GAATSHRMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168012-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2024-12-17 US disclosed
EP-3827008-B1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2024-07-31 EP disclosed
CN-112424207-B NLRP3 inflammatory corpuscle inhibitor 诺华股份有限公司 2024-03-19 CN disclosed
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2021-10-07 US disclosed
CN-112424207-A NLRP3 inflammasome inhibitor 诺华股份有限公司 2021-02-26 CN disclosed
WO-2020021447-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2020-01-30 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 (2 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-12168012-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 EPHX1 1824/4885ALDH1A1 1930/4885GAA 4407/4885
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 EPHX1 1732/4885ALDH1A1 1958/4885GAA 4367/4885

“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.