SCHEMBL21551779

SCHEMBL21551779

O=C(O)N1CCN(c2ccc(Oc3cc(CO)cc(-c4cc(F)cc(Br)c4)n3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 15/20 0.43
▸ WNT3A P56704 1/20 0.35
▸ ME2 P23368 1/20 0.34
▸ ME1 P48163 1/20 0.34
▸ ME3 Q16798 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL21551476 0.90 FURIN (0.52) FURINSCN9A
SCHEMBL21551253 0.89 GPR119 (0.46) FURINWNT3A
SCHEMBL30931821 0.89 GPR119 (0.46) FURINWNT3A
SCHEMBL29891921 0.89 GPR119 (0.46) FURINWNT3A
SCHEMBL26077380 0.89 FURIN (0.41) FURINSCN9A
SCHEMBL21553758 0.88 FURIN (0.43) FURINWNT3AME2ME1ME3
SCHEMBL21551142 0.85 FURIN (0.57) FURIN
SCHEMBL21551014 0.85 FURIN (0.40) FURINNPC1TP53MAPK1RAB9A
SCHEMBL21551753 0.83 FURIN (0.68) FURIN
SCHEMBL21564599 0.81 GPR119 (0.47) FURINWNT3A

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 1/4885WNT3A 3033/4885ME2 2267/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 FURIN 1/4885WNT3A 3033/4885ME2 2267/4885

“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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