SCHEMBL19974987

SCHEMBL19974987

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MLYCD O95822 1/20 0.33
ANPEP P15144 1/20 0.31
DNPEP Q9ULA0 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MMP1 P03956 1/20 0.30
MMP8 P22894 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
SCHEMBL21176324 0.87 CYP2D6 (0.34) CYP2D6CYP2C19ANPEPDNPEPPOLB
SCHEMBL19975574 0.77 CYP2D6 (0.35) CYP2D6CYP2C19MLYCDPOLBMMP1
SCHEMBL21183507 0.76 CTSD (0.36) CYP2D6CYP2C19ANPEPDNPEPMMP1
SCHEMBL19974711 0.73 MEN1 (0.49) ANPEPDNPEPMMP1MMP8
SCHEMBL19974715 0.69 METAP2 (0.30)
SCHEMBL19974882 0.69 KMT2A (0.38) TDP1
SCHEMBL19975289 0.68 CTSS (0.43) CYP2D6CYP2C19MLYCDANPEPDNPEP
SCHEMBL21176216 0.68 KMT2A (0.42) CYP2D6CYP2C19ANPEPDNPEPPOLB
SCHEMBL21176348 0.67 ADH1A (0.47) CYP2D6CYP2C19POLBMMP1MMP8
SCHEMBL16538121 0.66 CYP2D6 (0.46) CYP2D6CYP2C19MLYCDPOLBTDP1

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 CYP2D6 798/4885CYP2C19 3198/4885MLYCD 4484/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C CYP2D6 562/4885CYP2C19 3143/4885MLYCD 4553/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C CYP2D6 798/4885CYP2C19 3198/4885MLYCD 4484/4885

“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.