SCHEMBL30700167

SCHEMBL30700167

O=S(=O)(NCC1CNC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
MMP1 P03956 1/20 0.50
GBA1 P04062 1/20 0.46
DRD3 P35462 1/20 0.44
KCNH2 Q12809 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP7 P09237 1/20 0.44
MMP10 P09238 1/20 0.44
MMP9 P14780 1/20 0.44
NAMPT P43490 1/20 0.44
HDAC4 P56524 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
SCN3A Q9NY46 1/20 0.43
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL25252825 0.86 HTR2C (0.53) CYP19A1CA1CA2MMP1GBA1
SCHEMBL31532485 0.83 TSHR (0.60) CYP19A1CA1CA2MMP1GBA1
SCHEMBL30700186 0.83 TSHR (0.60) CYP19A1CA1CA2MMP1GBA1
SCHEMBL25936982 0.81 CYP19A1 (0.50) CYP19A1CA1CA2MMP1GBA1
SCHEMBL4957910 0.80 GBA1 (0.72) GBA1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL5028416 0.77 KMT2A (0.70) CYP19A1MMP1GBA1KMT2AMEN1
SCHEMBL5028418 0.77 KMT2A (0.70) CYP19A1MMP1GBA1KMT2AMEN1
SCHEMBL25292240 0.75 MGLL (0.56) CYP19A1MMP1GBA1KMT2AMEN1
SCHEMBL5025742 0.74 KMT2A (0.56) MMP1GBA1KMT2AMEN1LMNA
SCHEMBL5025740 0.74 KMT2A (0.56) MMP1GBA1KMT2AMEN1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543870-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-04-30 EP claimed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 WO claimed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US 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 CYP19A1 79/4885CA1 3030/4885CA2 4628/4885

“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.