SCHEMBL21176348

SCHEMBL21176348

CC(C)CNC(=O)C(O)C(C)N(C=O)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.47
ADH1C P00326 3/20 0.47
ADH1B P00325 1/20 0.47
EPHX1 P07099 1/20 0.42
MMP1 P03956 1/20 0.38
MMP8 P22894 1/20 0.38
CTSD P07339 4/20 0.38
HTT P42858 1/20 0.34
CPB2 Q96IY4 1/20 0.34
ADAM17 P78536 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
METAP2 P50579 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL19975527 0.85 ADH1C (0.46) ADH1AADH1CADH1BEPHX1MMP1
SCHEMBL19974862 0.85 ADH1B (0.46) ADH1AADH1CADH1BEPHX1MMP1
SCHEMBL19974716 0.83 ADH1A (0.53) ADH1AADH1CADH1BMEN1KMT2A
SCHEMBL19974956 0.81 ADH1C (0.50) ADH1AADH1CADH1BEPHX1HTT
SCHEMBL19974902 0.80 ADH1C (0.41) ADH1AADH1CADH1BEPHX1ADAM17
SCHEMBL21183526 0.77 ADH1A (0.49) ADH1AADH1CADH1BEPHX1MMP1
SCHEMBL19975423 0.75 EPHX1 (0.39) ADH1AADH1CADH1BEPHX1MEN1
SCHEMBL19975424 0.75 EPHX1 (0.39) ADH1AADH1CADH1BEPHX1MEN1
SCHEMBL19975335 0.74 ALDH1A1 (0.48) ADAM17KMT2A
SCHEMBL21183507 0.74 CTSD (0.36) EPHX1MMP1MMP8CTSDCPB2

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 8 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
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN 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 ADH1A 3054/4885ADH1C 3925/4885ADH1B 1889/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ADH1A 2909/4885ADH1C 3739/4885ADH1B 2084/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ADH1A 3054/4885ADH1C 3925/4885ADH1B 1889/4885

“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.