SCHEMBL21551409

SCHEMBL21551409

CN(Cc1cc(O)cc(-c2cc(Cl)cc(Cl)c2)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.45
AOC3 Q16853 3/20 0.44
RAB9A P51151 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B1 P14061 5/20 0.39
HSD17B2 P37059 5/20 0.39
HSP90AA1 P07900 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL18317001 0.87 TACR1 (0.49) TACR1AOC3RAB9AHTTALDH1A1
SCHEMBL29890838 0.81 HTR2C (0.38) TACR1AOC3HSD17B1HSD17B2
SCHEMBL30931825 0.81 HTR2C (0.38) TACR1AOC3HSD17B1HSD17B2
SCHEMBL18316984 0.78 HPGD (0.41) TACR1RAB9AHTTHSD17B1HSD17B2
SCHEMBL21551743 0.77 MEN1 (0.40) MEN1KMT2A
SCHEMBL18317007 0.76 CA12 (0.44) RAB9AHSD17B1HSD17B2HSP90AA1MEN1
SCHEMBL18317006 0.72 TACR1 (0.51) TACR1HTTALDH1A1HSD17B2HSP90AA1
SCHEMBL21564352 0.71 ACHE (0.56) RXRARXRB
SCHEMBL18316982 0.71 NPC1 (0.37) RAB9AHSD17B1HSD17B2HSP90AA1MEN1
SCHEMBL21551640 0.70 RAB9A (0.42) TACR1AOC3RAB9AHTTALDH1A1

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 TACR1 1081/4885AOC3 3477/4885RAB9A 352/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 TACR1 1081/4885AOC3 3477/4885RAB9A 352/4885

“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.