SCHEMBL30409862

SCHEMBL30409862

O=C1COCC2(CN(C(=O)N3CC4(CC(NS(=O)(=O)c5cccc(C(F)(F)F)c5)C4)C3)C2)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.40
▸ ATXN2 Q99700 4/20 0.40
▸ IDH2 P48735 8/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL25145734 0.90 IDH2 (0.44) IDH2HDAC8ALDH1A1HPGDCASP1
SCHEMBL30409455 0.88 MGLL (0.47) ENPP2ATXN2HDAC8CA1CA2
SCHEMBL30409437 0.87 HDAC8 (0.42) ENPP2ATXN2HDAC8CA1CA2
SCHEMBL30409331 0.83 MGLL (0.42) ENPP2ATXN2IDH2HDAC8ALDH1A1
SCHEMBL25253216 0.79 CA1 (0.49) ENPP2ATXN2IDH2HDAC8ALDH1A1
SCHEMBL25146051 0.78 MGLL (0.45) IDH2HDAC8ALDH1A1HPGDCASP1
SCHEMBL30410209 0.77 MGLL (0.39) —
SCHEMBL25322969 0.77 HDAC8 (0.42) ENPP2ATXN2IDH2HDAC8ALDH1A1
SCHEMBL25146065 0.77 HDAC8 (0.46) IDH2HDAC8CA1CA2MMP1
SCHEMBL30700299 0.75 CNR1 (0.42) IDH2HDAC8ALDH1A1CA1CA2

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
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP claimed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO claimed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 — — US disclosed
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP disclosed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — 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-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 ENPP2 2637/4885ATXN2 1561/4885IDH2 530/4885

“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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