SCHEMBL27150580

SCHEMBL27150580

O=C(N1CC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.55
▸ USP30 Q70CQ3 1/20 0.36
▸ TGFBR1 P36897 1/20 0.35
▸ HDAC4 P56524 2/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ NPY5R Q15761 2/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SCN3A Q9NY46 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
SCHEMBL27150449 0.93 MGLL (0.54) MGLLUSP30TGFBR1HDAC4MMP1
SCHEMBL27150457 0.91 MGLL (0.53) MGLLTGFBR1MAPTTSHRHTT
SCHEMBL27151237 0.84 MGLL (0.54) MGLL
SCHEMBL27150521 0.84 MGLL (0.54) MGLLUSP30LMNAMAPT
SCHEMBL27151210 0.84 MGLL (0.53) MGLLUSP30LMNA
SCHEMBL27246230 0.82 MGLL (0.56) MGLLMEN1TSHRKMT2A
SCHEMBL27153310 0.82 MGLL (0.51) MGLLMEN1LMNATSHRKMT2A
SCHEMBL27149553 0.82 MGLL (0.52) MGLLTGFBR1HDAC4MEN1KMT2A
SCHEMBL25322611 0.81 TGFBR1 (0.37) MGLLUSP30TGFBR1HDAC4MMP1
SCHEMBL27153815 0.79 MGLL (0.54) 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 8 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
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN 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
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN 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 4524/4885USP30 3172/4885TGFBR1 2235/4885

“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.

Send feedback