SCHEMBL30140662

SCHEMBL30140662

NC(=O)C(=O)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
EPHX2 P34913 1/20 0.45
ATR Q13535 1/20 0.45
ANO1 Q5XXA6 5/20 0.43
NAMPT P43490 1/20 0.43
KIT P10721 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
ALDH1A1 P00352 3/20 0.42
P2RY1 P47900 1/20 0.41
IDH2 P48735 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
CXCR2 P25025 1/20 0.41
IDH1 O75874 1/20 0.41

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
SCHEMBL13712 0.88 GAA (0.55) GAAEPHX2ATRANO1NAMPT
SCHEMBL24755526 0.83 GAA (0.50) GAAEPHX2PDK1PDK2PDK3
SCHEMBL2095941 0.81 GAA (0.55) GAAEPHX2ATRANO1NAMPT
SCHEMBL2095943 0.81 GAA (0.55) GAAEPHX2ATRANO1NAMPT
SCHEMBL5643498 0.81 GAA (0.55) GAAEPHX2ATRANO1NAMPT
SCHEMBL5521725 0.80 L3MBTL1 (0.49) GAAEPHX2ATRANO1NAMPT
SCHEMBL5962103 0.80 POLB (0.56) GAAEPHX2PDK1PDK2PDK3
SCHEMBL16291113 0.80 GAA (0.54) GAAEPHX2NAMPTALDH1A1IDH2
SCHEMBL8084614 0.80 GAA (0.57) GAAEPHX2ATRANO1NAMPT
SCHEMBL30142030 0.80 L3MBTL1 (0.49) GAAEPHX2ATRANO1NAMPT

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
WO-2022266363-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-22 WO claimed
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 GAA 694/4885EPHX2 2636/4885ATR 1938/4885

“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.