SCHEMBL19781089

SCHEMBL19781089

CC(C)(C)c1ccnc(-c2ccc(OS(=O)(=O)C(F)(F)F)c(-c3ccccc3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.36
SLC6A9 P48067 1/20 0.34
CTSA P10619 6/20 0.34
SCN9A Q15858 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
TOP1 P11387 1/20 0.32
TACR1 P25103 1/20 0.32

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
SCHEMBL19781138 0.83 PDK2 (0.42) PTGDR2SLC6A9PTGS1PTGS2PDE4A
SCHEMBL23956238 0.81 PDK2 (0.37) SLC6A9PTGS1PTGS2PDE4A
SCHEMBL29458425 0.78 SLC6A9 (0.44) BACE1CA1CA2CA9PTGDR2
SCHEMBL24781175 0.76 MEN1 (0.43) CA1CA2CA9PTGS2
SCHEMBL23303454 0.74 LMNA (0.39) BACE1CA1CA2CA9PTGDR2
SCHEMBL31176227 0.73 ASIC3 (0.53)
SCHEMBL7807703 0.73 ASIC3 (0.53)
SCHEMBL25029624 0.73 ESR2 (0.41)
SCHEMBL14176469 0.73 PTGDR2 (0.51) BACE1CA1CA2CA9PTGDR2
SCHEMBL21020818 0.72 ASIC3 (0.39) TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
EP-3487865-B1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-11-23 EP disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
US-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-05-23 US disclosed
WO-2018019687-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-02-01 WO disclosed
WO-2018011186-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-01-18 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 (4 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-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES SSBP1, POLRMT, BICRA BACE1 4025/4885CA1 2371/4885CA2 2143/4885
US-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 BACE1 2970/4885CA1 2313/4885CA2 885/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 BACE1 2970/4885CA1 2313/4885CA2 885/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 BACE1 2970/4885CA1 2313/4885CA2 885/4885

“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.