SCHEMBL22023937

SCHEMBL22023937

CNC(=O)c1cccc(C)c1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.47
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPGD P15428 4/20 0.40
AR P10275 1/20 0.39
PDK2 Q15119 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MTNR1A P48039 1/20 0.39
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL28119410 0.84 GAA (0.49) PLK1GAASMN1; SMN2POLBHPGD
SCHEMBL9509593 0.84 CA1 (0.49) TP53THRBSMN1; SMN2POLBHPGD
SCHEMBL22023672 0.81 GAA (0.62) PLK1GAASMN1; SMN2HDAC8HDAC6
SCHEMBL11930069 0.79 ALDH1A1 (0.57) POLBHPGDKDM4EHSD17B10ALDH1A1
SCHEMBL12593308 0.79 CA1 (0.49) SMN1; SMN2POLBPDK2KDM4EHSD17B10
SCHEMBL22023791 0.78 PLK1 (0.50) PLK1GAATP53HDAC8HDAC6
SCHEMBL22023652 0.78 PARP1 (0.42) GAASMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL4155499 0.77 PLK1 (0.53) PLK1GAATP53POLBHPGD
SCHEMBL30339452 0.77 PLK1 (0.53) PLK1GAATP53POLBHPGD
SCHEMBL311564 0.77 HPGD (0.62) PLK1GAASMN1; SMN2POLBHPGD

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-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 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-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF PLK1 888/4885GAA 937/4885TP53 250/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF PLK1 888/4885GAA 937/4885TP53 250/4885

“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.