SCHEMBL27150449

SCHEMBL27150449

O=C(N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.54
▸ TGFBR1 P36897 2/20 0.41
▸ USP30 Q70CQ3 1/20 0.38
▸ HDAC4 P56524 3/20 0.35
▸ NPY5R Q15761 2/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ NAMPT P43490 2/20 0.33
▸ MMP1 P03956 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
SCHEMBL27150580 0.93 MGLL (0.55) MGLLTGFBR1USP30HDAC4NPY5R
SCHEMBL27151210 0.91 MGLL (0.53) MGLLUSP30
SCHEMBL27153310 0.90 MGLL (0.51) MGLL
SCHEMBL27149553 0.90 MGLL (0.52) MGLLTGFBR1HDAC4HDAC3HDAC1
SCHEMBL27150521 0.88 MGLL (0.54) MGLLUSP30
SCHEMBL27150457 0.84 MGLL (0.53) MGLLTGFBR1
SCHEMBL27246230 0.83 MGLL (0.56) MGLL
SCHEMBL25324442 0.81 TGFBR1 (0.43) MGLLTGFBR1USP30HDAC4NPY5R
SCHEMBL27153885 0.79 MGLL (0.53) MGLL
SCHEMBL27143788 0.77 MGLL (0.56) 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-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 — — US claimed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP claimed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO claimed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 — — US disclosed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — 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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 MGLL 4524/4885TGFBR1 2235/4885USP30 3172/4885

“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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