SCHEMBL21176352

SCHEMBL21176352

CC(N[C@H]1CC[C@@H](NC(=O)O)CC1)C(O)C(=O)NCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.46
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX2 P34913 1/20 0.36
LIPE Q05469 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
CA9 Q16790 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
SCHEMBL19975269 1.00 EPHX1 (0.46) EPHX1CYP2D6SMN1; SMN2KDM4ETSHR
SCHEMBL19974886 0.89 EPHX1 (0.49) EPHX1CYP2D6SMN1; SMN2KDM4ETSHR
SCHEMBL19974727 0.86 EPHX1 (0.45) EPHX1CYP2D6SMN1; SMN2KDM4ETSHR
SCHEMBL30063330 0.83 KMT2A (0.45) EPHX1ATMKMT2ATDP1CA1
SCHEMBL21176374 0.83 KMT2A (0.45) EPHX1ATMKMT2ATDP1CA1
SCHEMBL19974914 0.81 EPHX1 (0.46) EPHX1CYP2D6SMN1; SMN2TSHRMEN1
SCHEMBL19975423 0.78 EPHX1 (0.39) EPHX1CYP2D6SMN1; SMN2TSHRMEN1
SCHEMBL19975424 0.78 EPHX1 (0.39) EPHX1CYP2D6SMN1; SMN2TSHRMEN1
SCHEMBL19974786 0.78 EPHX1 (0.46) EPHX1CYP2D6SMN1; SMN2TSHRMEN1
SCHEMBL19975031 0.77 ATM (0.50) EPHX1SMN1; SMN2KDM4ETSHRATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C EPHX1 372/4885CYP2D6 798/4885SMN1; SMN2 706/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C EPHX1 372/4885CYP2D6 798/4885SMN1; SMN2 706/4885

“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.