SCHEMBL19974911

SCHEMBL19974911

CC(C)NC(=O)C(O)C(C)OC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.37
EPHX1 P07099 3/20 0.35
MMP2 P08253 4/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
MMP9 P14780 2/20 0.33
ANPEP P15144 2/20 0.33
LTA4H P09960 1/20 0.33
LAP3 P28838 1/20 0.33
NPEPPS P55786 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
METAP1 P53582 1/20 0.33
TSHR P16473 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
ATM Q13315 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL19975399 0.81 EPHX1 (0.46) METAP2EPHX1MMP2MMP9ANPEP
SCHEMBL19974721 0.80 SMN1; SMN2 (0.43) METAP2EPHX1MMP2CA12CA1
SCHEMBL19975124 0.80 SMN1; SMN2 (0.41) METAP2EPHX1MMP2CA12CA1
SCHEMBL19975535 0.79 SMN1; SMN2 (0.43) METAP2EPHX1MMP2CA12CA1
SCHEMBL27283738 0.71 ACACB (0.35) EPHX1MMP2MMP9TSHR
SCHEMBL19975080 0.70 EPHX1 (0.36) EPHX1MMP2CA12CA1CA2
SCHEMBL19974756 0.70 ATM (0.44) METAP2EPHX1MMP2CA12CA1
SCHEMBL23010185 0.70
SCHEMBL19661874 0.70 HIF1A (0.43) EPHX1MMP2CA12CA1CA2
SCHEMBL20953667 0.70 HIF1A (0.43) EPHX1MMP2CA12CA1CA2

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 7 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
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (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 METAP2 585/4885EPHX1 372/4885MMP2 946/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C METAP2 560/4885EPHX1 449/4885MMP2 973/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C METAP2 585/4885EPHX1 372/4885MMP2 946/4885

“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.