SCHEMBL27150457

SCHEMBL27150457

O=C(N1CC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.53
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ TGFBR1 P36897 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ IDH2 P48735 2/20 0.35
▸ PTGES O14684 1/20 0.35
▸ POLB P06746 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
SCHEMBL27150580 0.91 MGLL (0.55) MGLLMAPTTSHRSMN1; SMN2TGFBR1
SCHEMBL27149413 0.87 MGLL (0.53) MGLLL3MBTL1IDH2
SCHEMBL27150449 0.84 MGLL (0.54) MGLLTGFBR1
SCHEMBL30720259 0.84 MGLL (0.54) MGLLGAAL3MBTL1SMN1; SMN2
SCHEMBL27151237 0.83 MGLL (0.54) MGLL
SCHEMBL25326525 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMAPTALOX15
SCHEMBL27149553 0.81 MGLL (0.52) MGLLALDH1A1TGFBR1POLB
SCHEMBL27151210 0.78 MGLL (0.53) MGLLALDH1A1L3MBTL1POLB
SCHEMBL25323491 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EGAAMAPTALOX15
SCHEMBL27153310 0.77 MGLL (0.51) MGLLALDH1A1TSHRSMN1; SMN2

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 4524/4885ALDH1A1 295/4885KDM4E 1806/4885

“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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