SCHEMBL25324840

SCHEMBL25324840

O=C(N1CC(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.43
▸ KIT P10721 1/20 0.42
▸ AKR1C3 P42330 1/20 0.40
▸ MGLL Q99685 1/20 0.38
▸ ABHD6 Q9BV23 1/20 0.38
▸ DPP4 P27487 7/20 0.37
▸ DPP7 Q9UHL4 6/20 0.37
▸ KCNH2 Q12809 4/20 0.37
▸ STS P08842 1/20 0.37
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ PKLR P30613 1/20 0.36
▸ LIPE Q05469 2/20 0.36
▸ FBP1 P09467 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35

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
SCHEMBL25324806 0.93 KIT (0.43) HDAC8KITAKR1C3MGLLABHD6
SCHEMBL25324275 0.88 HDAC8 (0.41) HDAC8AKR1C3DRD2ADRA1DADRA1A
SCHEMBL25327398 0.85 AKR1C3 (0.44) AKR1C3MGLLABHD6DDB1CRBN
SCHEMBL25325495 0.85 MGLL (0.40) HDAC8KITAKR1C3MGLLABHD6
SCHEMBL25322969 0.82 HDAC8 (0.42) HDAC8AKR1C3DRD2ADRA1DADRA1A
SCHEMBL25324441 0.82 AKR1C3 (0.42) AKR1C3MGLLABHD6LIPE
SCHEMBL25324356 0.77 ENPP2 (0.42) ENPP2ATXN2
SCHEMBL25322558 0.77 BCHE (0.41) HDAC8ENPP2ATXN2
SCHEMBL25325840 0.77 MAPT (0.38) MGLLDPP4DPP7ENPP2ATXN2
SCHEMBL30700662 0.76 KIT (0.41) HDAC8KITAKR1C3DPP4DPP7

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-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US claimed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO claimed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — 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-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 HDAC8 1553/4885KIT 598/4885AKR1C3 257/4885

“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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