SCHEMBL8764313

SCHEMBL8764313

CC(=O)Nc1cc(C(F)(F)F)no1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
ALDH1A1 P00352 1/20 0.51
MAPK14 Q16539 5/20 0.51
IDO1 P14902 1/20 0.42
CNR2 P34972 7/20 0.42
CNR1 P21554 4/20 0.42
CA2 P00918 4/20 0.42
CA7 P43166 3/20 0.42
CA1 P00915 2/20 0.42
CA4 P22748 2/20 0.42
RPS6KA2 Q15349 1/20 0.42
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL25793081 0.90 ALDH1A1 (0.55) EPHX2ALDH1A1MAPK14CNR2CNR1
SCHEMBL25793076 0.85 ALDH1A1 (0.51) EPHX2ALDH1A1MAPK14CNR2CNR1
SCHEMBL9893018 0.84 ALDH1A1 (0.71) ALDH1A1MAPK14CNR2CNR1
SCHEMBL9891522 0.83 ALDH1A1 (0.53) EPHX2ALDH1A1MAPK14IDO1CNR2
SCHEMBL9891929 0.83 EPHX2 (0.51) EPHX2ALDH1A1MAPK14IDO1CNR2
SCHEMBL4284384 0.83 EPHX2 (0.53) EPHX2ALDH1A1MAPK14IDO1CNR2
SCHEMBL14647434 0.83 ALDH1A1 (0.55) ALDH1A1MAPK14CNR2CNR1CA2
SCHEMBL9892898 0.82 EPHX2 (0.50) EPHX2ALDH1A1MAPK14IDO1CNR2
SCHEMBL5067070 0.81 EPHX2 (0.46) EPHX2ALDH1A1MAPK14IDO1CNR2
SCHEMBL13413831 0.79 ALDH1A1 (0.51) EPHX2ALDH1A1MAPK14CNR2CNR1

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-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
EP-0375670-B1 Process for preparing 3-polyfluoroalkylisoxazolylamines SHIONOGI & CO (JP) 1997-08-06 EP disclosed
EP-0375670-A2 Process for preparing 3-polyfluoroalkylisoxazolylamines SHIONOGI & CO., LTD. (JP) 1990-06-27 EP disclosed
US-4797492-A INTERMEDIATES FOR BACTERICIDES; HERBICIDES OR FUNGICIDES SHIONOGI & CO., LTD. (JP) 1989-01-10 US disclosed
EP-0220947-A2 Polyfluoroalkylisoxazolylamines, their preparation and use SHIONOGI & CO., LTD. (JP) 1987-05-06 EP 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-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 EPHX2 1702/4885ALDH1A1 4327/4885MAPK14 447/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 EPHX2 1883/4885ALDH1A1 4354/4885MAPK14 454/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 EPHX2 1990/4885ALDH1A1 4542/4885MAPK14 717/4885

“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.