SCHEMBL21176374

SCHEMBL21176374

CC(NC1CCC(NC(=O)OC(C)(C)C)CC1)C(O)C(=O)NCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
EPHX1 P07099 4/20 0.44
CTSK P43235 3/20 0.41
CTSS P25774 1/20 0.41
GAA P10253 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BTK Q06187 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
DRD2 P14416 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL30063330 1.00 KMT2A (0.45) KMT2AEPHX1CTSKCTSSGAA
SCHEMBL19975269 0.83 EPHX1 (0.46) KMT2AEPHX1CA1CA2ATM
SCHEMBL21176352 0.83 EPHX1 (0.46) KMT2AEPHX1CA1CA2ATM
SCHEMBL19974886 0.83 EPHX1 (0.49) KMT2AEPHX1GAACA1CA2
SCHEMBL21176292 0.81 KMT2A (0.42) KMT2AEPHX1CTSKCTSSGAA
SCHEMBL30063422 0.81 KMT2A (0.42) KMT2AEPHX1CTSKCTSSGAA
SCHEMBL21176290 0.81 KMT2A (0.42) KMT2AEPHX1CTSKCTSSGAA
SCHEMBL19974727 0.80 EPHX1 (0.45) KMT2AEPHX1GAACA1CA2
SCHEMBL18534331 0.75 EPHX1 (0.52) KMT2AEPHX1CTSKBTKKDM1A
SCHEMBL19766514 0.75 BTK (0.54) KMT2AEPHX1CTSKGAAHDAC4

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 KMT2A 4031/4885EPHX1 372/4885CTSK 1083/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KMT2A 4177/4885EPHX1 449/4885CTSK 1127/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885EPHX1 372/4885CTSK 1083/4885

“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.