SCHEMBL30233389

SCHEMBL30233389

NC(=O)C(=O)Nc1cccc(C(F)(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.50
▸ P2RX7 Q99572 1/20 0.50
▸ CLK4 Q9HAZ1 8/20 0.47
▸ ACVR1 Q04771 7/20 0.47
▸ GSK3A P49840 6/20 0.47
▸ GSK3B P49841 6/20 0.47
▸ SRPK1 Q96SB4 4/20 0.47
▸ HIPK4 Q8NE63 4/20 0.47
▸ STK3 Q13188 4/20 0.47
▸ AURKB Q96GD4 4/20 0.47
▸ MAP4K4 O95819 3/20 0.47
▸ JAK2 O60674 3/20 0.47
▸ FLT3 P36888 3/20 0.47
▸ RPS6KA3 P51812 3/20 0.47
▸ CSNK2A1 P68400 3/20 0.47
▸ PRKD3 O94806 3/20 0.47
▸ MAPKAPK2 P49137 3/20 0.47
▸ CLK2 P49760 3/20 0.47
▸ PBK Q96KB5 3/20 0.47
▸ CSNK1G3 Q9Y6M4 3/20 0.47

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
SCHEMBL5031654 0.87 P2RX7 (0.53) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL29640129 0.87 P2RX7 (0.53) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL2635287 0.81 TAS2R14 (0.57) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL23539984 0.80 TAS2R14 (0.46) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL13170010 0.80 KDM4E (0.56) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL9891927 0.76 GSK3A (0.52) TAS2R14CLK4ACVR1GSK3AGSK3B
SCHEMBL1464316 0.76 GSK3A (0.49) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL18425134 0.76 ACVR1 (0.49) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL12506975 0.76 CLK4 (0.51) TAS2R14P2RX7CLK4ACVR1GSK3A
SCHEMBL10327562 0.76 TAS2R14 (0.49) TAS2R14P2RX7CLK4ACVR1GSK3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230033285-A1 Protease Inhibitors for Treatment of Coronavirus Infections THE SCRIPPS RESEARCH INSTITUTE 2023-02-02 — — 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 (1 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-20230033285-A1 Protease Inhibitors for Treatment of Coronavirus Infections ACE, ACE2, TMPRSS2 TAS2R14 1245/4885P2RX7 1565/4885CLK4 4347/4885

“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.

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