SCHEMBL25325495

SCHEMBL25325495

N=S(=O)(c1cccc(OC(F)(F)F)c1)C1CC2(C1)CN(C(=O)N1CC3(CC(c4nnc(C5CC5)[nH]4)C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.40
▸ ABHD6 Q9BV23 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ CACNA1B Q00975 2/20 0.35
▸ PKLR P30613 1/20 0.34
▸ KAT6A Q92794 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ ATXN2 Q99700 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ KIT P10721 1/20 0.33

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
SCHEMBL25327398 0.88 AKR1C3 (0.44) MGLLABHD6AKR1C3CACNA1BHTR2B
SCHEMBL25324840 0.85 HDAC8 (0.43) MGLLABHD6AKR1C3PKLRDDB1
SCHEMBL25324441 0.85 AKR1C3 (0.42) MGLLABHD6AKR1C3CACNA1BKDM2B
SCHEMBL25324806 0.84 KIT (0.43) MGLLABHD6AKR1C3PKLRDDB1
SCHEMBL25326024 0.80 AKR1C3 (0.40) MGLLABHD6AKR1C3CACNA1BKDM2B
SCHEMBL30409546 0.79 MGLL (0.40) MGLLABHD6AKR1C3CACNA1BPKLR
SCHEMBL25325330 0.79 DPP4 (0.42) AKR1C3HTR2BENPP2ATXN2HDAC8
SCHEMBL25324983 0.78 AKR1C3 (0.39) MGLLABHD6AKR1C3CACNA1BPKLR
SCHEMBL30898351 0.77 ABHD6 (0.48) MGLLABHD6AKR1C3CACNA1BPKLR
SCHEMBL30410188 0.77 ABHD6 (0.48) MGLLABHD6AKR1C3CACNA1BPKLR

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 MGLL 3523/4885ABHD6 2367/4885AKR1C3 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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