SCHEMBL21551096

SCHEMBL21551096

CS(=O)(=O)OCc1cc(Oc2ccc(N3CCN(C(=O)O)CC3)nc2)nc(-c2cc(Cl)cc(Cl)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 9/20 0.44
▸ GPR119 Q8TDV5 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ MGLL Q99685 3/20 0.36
▸ PDE4B Q07343 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ ME2 P23368 2/20 0.34
▸ ME1 P48163 2/20 0.34
▸ ME3 Q16798 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TRPV1 Q8NER1 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
SCHEMBL29890900 0.90 GPR119 (0.51) FURINGPR119
SCHEMBL28546879 0.90 GPR119 (0.51) FURINGPR119
SCHEMBL26077353 0.89 FURIN (0.41) FURINPDE4BFFAR4
SCHEMBL21551173 0.87 FURIN (0.44) FURINSCN9AMGLLPDE4BFFAR4
SCHEMBL21550952 0.87 FURIN (0.44) FURINGPR119SCN9AMGLLME2
SCHEMBL21551387 0.85 FURIN (0.55) FURINGPR119
SCHEMBL21550974 0.82 GPR119 (0.42) FURINGPR119MGLLME2ME1
SCHEMBL21551454 0.79 FURIN (0.42) FURINGPR119SCN9AMGLLKDM4E
SCHEMBL21553736 0.78 FURIN (0.66) FURIN
SCHEMBL21551728 0.78 GPR119 (0.47) FURINGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 — — EP disclosed
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 — — US disclosed
US-20220315556-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-06 — — US disclosed
EP-3790871-A1 FURIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-03-17 — — EP disclosed
WO-2019215341-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 — — 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 (2 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-20220315556-A1 FURIN INHIBITORS FURIN, TGFB1, PCSK7 FURIN 1/4885GPR119 2318/4885SCN9A 1845/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 FURIN 1/4885GPR119 2318/4885SCN9A 1845/4885

“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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