SCHEMBL25327453

SCHEMBL25327453

O=C(N1CC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)C1)N1CC2(CC(c3nnc(C4(O)CC4)[nH]3)C2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ TGFBR1 P36897 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ MGLL Q99685 4/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MMP7 P09237 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MMP10 P09238 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ SCN3A Q9NY46 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL25323491 0.91 ALDH1A1 (0.41) MMP1TGFBR1ALDH1A1HTTMMP7
SCHEMBL25322611 0.89 TGFBR1 (0.37) MMP1TGFBR1NAMPTUSP30MGLL
SCHEMBL25326001 0.82 GAA (0.35) MGLLALDH1A1MEN1KMT2AEPHX2
SCHEMBL25918770 0.82 CHRNA7 (0.41) MGLL
SCHEMBL25324442 0.82 TGFBR1 (0.43) MMP1TGFBR1NAMPTUSP30MGLL
SCHEMBL25326525 0.80 ALDH1A1 (0.44) MMP1TGFBR1ALDH1A1HTTMMP7
SCHEMBL25323450 0.79 MGLL (0.35) MGLLEPHX2
SCHEMBL25327491 0.77 MGLL (0.40) MMP1MGLLMMP7MMP9EPHX2
SCHEMBL25326166 0.76 MGLL (0.41) MGLL
SCHEMBL25325901 0.76 MGLL (0.39) MGLL

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 CCR1 210/4885MMP1 4606/4885TGFBR1 1999/4885

“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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