SCHEMBL21551014

SCHEMBL21551014

COC(=O)c1cc(Oc2ccc(N3CCN(C(=O)O)CC3)nc2)nc(-c2cc(F)cc(Br)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 6/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ OGA O60502 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ SCD O00767 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
SCHEMBL26077377 0.91 FURIN (0.39) FURINKMT2ANPC1RAB9ATSHR
SCHEMBL30931835 0.90 GPR119 (0.42) FURINGPR119
SCHEMBL29890753 0.90 GPR119 (0.42) FURINGPR119
SCHEMBL21551516 0.90 GPR119 (0.42) FURINGPR119
SCHEMBL21551228 0.86 FURIN (0.52) FURINKMT2ANPC1RAB9AGPR119
SCHEMBL21551779 0.85 FURIN (0.43) FURINNPC1RAB9ATP53MAPK1
SCHEMBL21551594 0.83 CKS1B (0.44) FURINGPR119
SCHEMBL26077378 0.83 SCD (0.39) FURINSCD
SCHEMBL21553758 0.82 FURIN (0.43) FURINRAB9ALMNATSHRHSD17B10
SCHEMBL21564440 0.81 PGK1 (0.44) FURINMGLLGPR119

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 1/4885KMT2A 4129/4885NPC1 250/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 FURIN 1/4885KMT2A 4129/4885NPC1 250/4885

“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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