SCHEMBL30210892

SCHEMBL30210892

CN(C)c1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.47
▸ IDH1 O75874 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KIF11 P52732 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39

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
SCHEMBL24876035 0.87 FFAR4 (0.51) FFAR4IDH1ATMSMN1; SMN2KIF11
SCHEMBL30210908 0.87 FFAR4 (0.51) FFAR4IDH1ATMSMN1; SMN2KIF11
SCHEMBL31236029 0.85 FFAR4 (0.50) FFAR4IDH1THRBATMSMN1; SMN2
SCHEMBL30211031 0.84 FFAR4 (0.57) FFAR4IDH1THRBATMSMN1; SMN2
SCHEMBL30210923 0.82 FFAR4 (0.47) FFAR4IDH1THRBATMSMN1; SMN2
SCHEMBL4282718 0.76 AR (0.63) IDH1ATMSMN1; SMN2KIF11MEN1
SCHEMBL24876131 0.74 LMNA (0.55) IDH1THRBATMSMN1; SMN2KIF11
SCHEMBL30211023 0.74 LMNA (0.55) IDH1THRBATMSMN1; SMN2KIF11
SCHEMBL31679916 0.72 MAPT (0.52) FFAR4IDH1THRBATMSMN1; SMN2
SCHEMBL30210899 0.72 ATM (0.42) FFAR4IDH1THRBATMSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376084-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2024-11-14 — — US disclosed
EP-4367103-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2024-05-15 — — EP disclosed
WO-2023280970-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-01-12 — — 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-20240376084-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS SERPINB1, LTA, SERPINC1 FFAR4 4560/4885IDH1 4496/4885THRB 882/4885

“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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