SCHEMBL22423780

SCHEMBL22423780

O=C1NC(=O)/C(=C\C=C\c2ccccc2)S1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.67
▸ PIM2 Q9P1W9 2/20 0.67
▸ PIM3 Q86V86 1/20 0.67
▸ CDC25B P30305 2/20 0.60
▸ MAPK10 P53779 1/20 0.58
▸ GSK3B P49841 1/20 0.58
▸ MAPT P10636 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ METAP1 P53582 2/20 0.54
▸ ALOX15 P16050 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ AKR1B1 P15121 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ APP P05067 1/20 0.49
▸ SNCA P37840 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ NAT1 P18440 1/20 0.49

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
SCHEMBL13846678 1.00 PIM1 (0.67) PIM1PIM2PIM3CDC25BMAPK10
SCHEMBL22409611 1.00 PIM1 (0.67) PIM1PIM2PIM3CDC25BMAPK10
SCHEMBL8172756 0.92 PIM1 (0.57) PIM1PIM2PIM3CDC25BMAPK10
SCHEMBL8181630 0.86 PIM1 (0.54) PIM1PIM2PIM3CDC25BMAPK10
SCHEMBL8181632 0.86 PIM1 (0.54) PIM1PIM2PIM3CDC25BMAPK10
SCHEMBL8188705 0.85 TDP1 (0.68) PIM1PIM2PIM3CDC25BGSK3B
SCHEMBL8171854 0.84 PIM1 (0.50) PIM1PIM2PIM3CDC25BMAPK10
SCHEMBL8187128 0.83 PIM1 (0.53) PIM1PIM2PIM3CDC25BMAPK10
SCHEMBL8188811 0.83 PIM1 (0.89) PIM1PIM2PIM3GSK3BAKR1B1
SCHEMBL8188808 0.83 PIM1 (0.89) PIM1PIM2PIM3GSK3BAKR1B1

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-11161823-B2 Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof NATIONAL GUARD HEALTH AFFAIRS (SA) 2021-11-02 — — US disclosed
US-20200290975-A1 ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF NATIONAL GUARD HEALTH AFFAIRS (SA) 2020-09-17 — — US 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-11161823-B2 Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof PDK1, PDHA1, PDHA2 PIM1 38/4885PIM2 132/4885PIM3 134/4885
US-20200290975-A1 ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF PDK1, PDHA1, PDHA2 PIM1 38/4885PIM2 132/4885PIM3 134/4885

“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.

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