SCHEMBL22023934

SCHEMBL22023934

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.47
KCNK9 Q9NPC2 4/20 0.47
F2R P25116 1/20 0.43
GAA P10253 1/20 0.42
PLK1 P53350 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PDK2 Q15119 1/20 0.40
CLK1 P49759 1/20 0.39
KAT2B Q92831 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
MTNR1A P48039 1/20 0.37
HCN1 O60741 1/20 0.37
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL22023791 0.83 PLK1 (0.50) KCNK3KCNK9GAAPLK1RXFP1
SCHEMBL8317341 0.83 KCNK3 (0.59) KCNK3KCNK9F2RGAAPLK1
SCHEMBL22023693 0.82 KCNK3 (0.43) KCNK3KCNK9F2R
SCHEMBL2061615 0.81 KCNK3 (0.48) KCNK3KCNK9F2RGAAPLK1
SCHEMBL22023672 0.76 GAA (0.62) GAAPLK1PDK2ALDH1A1MTNR1A
SCHEMBL18530548 0.76 PLK1 (0.49) KCNK3KCNK9GAAPLK1RXFP1
SCHEMBL14892702 0.75 KCNK3 (0.46) KCNK3KCNK9F2RGAAPLK1
SCHEMBL22023937 0.74 PLK1 (0.47) GAAPLK1PDK2ALDH1A1MTNR1A
SCHEMBL10252193 0.73 ALDH1A1 (0.49) KCNK3KCNK9F2RGAAPLK1
SCHEMBL201210 0.71 KCNK3 (0.57) KCNK3KCNK9F2RGAARXFP1

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 KCNK3 4733/4885KCNK9 4644/4885F2R 2821/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF KCNK3 4733/4885KCNK9 4644/4885F2R 2821/4885

“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.