SCHEMBL21176320

SCHEMBL21176320

CC(NS(=O)(=O)CCC1CCOCC1)C(=O)C(=O)NCC1CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CCR2 P41597 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
SCHEMBL21176197 0.80 HTR4 (0.33) HTR4NPC1RAB9AKAT8KMT2A
SCHEMBL21176189 0.74 MEN1 (0.42) KMT2A
SCHEMBL21176321 0.71 MEN1 (0.33) HTR4NPC1RAB9AKMT2ATDP1
SCHEMBL19974906 0.71 F2 (0.43) KMT2A
SCHEMBL19975294 0.70 NPC1 (0.34) HTR4NPC1RAB9AKMT2ATDP1
SCHEMBL19974890 0.68 SLC1A3 (0.36) HTR4NPC1RAB9ATDP1
SCHEMBL19975409 0.68 GBA1 (0.51) KMT2A
SCHEMBL12990116 0.67 KAT8 (0.35) KAT8
SCHEMBL21885825 0.67 ACLY (0.31)
SCHEMBL13684869 0.67 TDP1 (0.48) NPC1RAB9AKMT2ACYP3A4CYP2D6

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 3 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-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 HTR4 2268/4885NPC1 753/4885RAB9A 1576/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C HTR4 2433/4885NPC1 1213/4885RAB9A 1334/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C HTR4 2268/4885NPC1 753/4885RAB9A 1576/4885

“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.