SCHEMBL21176321

SCHEMBL21176321

CC(C(=O)C(=O)NCC1CC1)N(CC1CCOCC1)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CNR2 P34972 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
PIK3CD O00329 1/20 0.30
HTR4 Q13639 1/20 0.30

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
SCHEMBL21176198 0.80 MMP1 (0.32) MEN1LMNAKMT2APSEN1PSEN2
SCHEMBL19974996 0.75 CTSD (0.38) NPC1RAB9ATDP1
SCHEMBL21176191 0.74 CXCR3 (0.43) MEN1KMT2A
SCHEMBL21176392 0.73 NPC1 (0.32) NPC1RAB9AKDM4ETDP1PIK3CD
SCHEMBL19975147 0.71 CTSD (0.33) NPC1RAB9AKDM4EPIK3CDHTR4
SCHEMBL21176320 0.71 HTR4 (0.34) KMT2ANPC1RAB9ATDP1HTR4
SCHEMBL19975294 0.70 NPC1 (0.34) KMT2ANPC1RAB9ACNR2TDP1
SCHEMBL21183525 0.69 TDP1 (0.31) NPC1RAB9ATDP1
SCHEMBL19975101 0.69 NPC1 (0.31) NPC1RAB9ACNR2
SCHEMBL19974890 0.68 SLC1A3 (0.36) NPC1RAB9ACNR2TDP1HTR4

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
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C MEN1 4331/4885LMNA 1909/4885KMT2A 4031/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C MEN1 4361/4885LMNA 2058/4885KMT2A 4177/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C MEN1 4331/4885LMNA 1909/4885KMT2A 4031/4885

“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.