SCHEMBL6894888

SCHEMBL6894888

CCOC(=O)CCC(N)=S

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
GAA P10253 3/20 0.48
ALOX15 P16050 1/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 6/20 0.44
TRPA1 O75762 1/20 0.44
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6890622 0.87 CYP1A2 (0.61) CYP1A2GAAALOX15MGAMSI
Succinic Acid Diethyl Ester SCHEMBL22780 0.83 GAA (0.67) CYP1A2GAAALOX15MGAMSI
Succinic Acid Diethyl Ester SCHEMBL27768067 0.83 GAA (0.67) CYP1A2GAAALOX15MGAMSI
SCHEMBL3487275 0.81 CYP1A2 (0.58) CYP1A2GAAALOX15MGAMSI
Succinic Acid Diethyl Ester SCHEMBL28853161 0.80 GAA (0.63) CYP1A2GAAALOX15MGAMSI
Succinic Acid Diethyl Ester SCHEMBL21815758 0.80 GAA (0.63) CYP1A2GAAALOX15MGAMSI
Succinic Acid Diethyl Ester SCHEMBL27525301 0.80 GAA (0.63) CYP1A2GAAALOX15MGAMSI
Succinic Acid Diethyl Ester SCHEMBL4324913 0.80 GAA (0.63) CYP1A2GAAALOX15MGAMSI
Succinic Acid Diethyl Ester SCHEMBL29494609 0.80 GAA (0.63) CYP1A2GAAALOX15MGAMSI
Succinic Acid Diethyl Ester SCHEMBL11788359 0.79 CYP1A2 (0.47) CYP1A2GAAALOX15MGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
US-12030875-B2 EIF4E inhibitors and uses thereof PIC Therapeutics, Inc. (US) 2024-07-09 US disclosed
US-20240217979-A1 GluN2 Subunit Selective Antagonists of the N-Methyl-D-Aspartate Receptors UNIV EMORY (US) 2024-07-04 US disclosed
US-20240217979-A1 GluN2 Subunit Selective Antagonists of the N-Methyl-D-Aspartate Receptors UNIV EMORY (US) 2024-07-04 US disclosed
EP-3846793-B1 EIF4E INHIBITORS AND USES THEREOF PIC THERAPEUTICS INC (US) 2024-01-24 EP disclosed
EP-3846793-B1 EIF4E INHIBITORS AND USES THEREOF PIC THERAPEUTICS INC (US) 2024-01-24 EP disclosed
US-20220089587-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. 2022-03-24 US disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
US-5137897-A Nonsteroidal antiinflammatory agents; therapy for rheumatic diseases HOECHST AKTIENGESLLSCHAFT (DE) 1992-08-11 US disclosed
EP-0432740-A2 2-Substituted 4-(3-alkyl-5-tert.-butyl-4-hydroxy-phenyl)-thiazole, process for their preparation, medicaments containing them and their utilization HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-19 EP 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 (3 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-12030875-B2 EIF4E inhibitors and uses thereof EIF4E, EIF4EBP1, EIF4A1 CYP1A2 4857/4885GAA 1525/4885ALOX15 4152/4885
US-20240217979-A1 GluN2 Subunit Selective Antagonists of the N-Methyl-D-Aspartate Receptors GRIN2B, GRIN2A, GRIN2C CYP1A2 831/4885GAA 468/4885ALOX15 2107/4885
US-20220089587-A1 EIF4E INHIBITORS AND USES THEREOF EIF4E, EIF4EBP1, EEF2K CYP1A2 4853/4885GAA 2099/4885ALOX15 3579/4885

“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.