SCHEMBL22208191

SCHEMBL22208191

O=C(N1CCC12CNC2)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.36
SCN9A Q15858 1/20 0.33
EPHX2 P34913 1/20 0.31
PARP1 P09874 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL799357 0.81 SOS1 (0.35)
Hydrochloric Acid SCHEMBL335881 0.80 SOS1 (0.34)
SCHEMBL21591724 0.75 PARP1 (0.30) PARP1
Trifluoroacetic Acid SCHEMBL31257597 0.75 SCN9A (0.30) SCN9A
SCHEMBL22208184 0.74 EPHX1 (0.34) EPHX1
Trifluoroacetic Acid SCHEMBL31579460 0.74 NAMPT (0.34)
Trifluoroacetic Acid SCHEMBL30619158 0.73 CHRNB2 (0.33) SCN9A
SCHEMBL4875336 0.72 NAMPT (0.35)
Trifluoroacetic Acid SCHEMBL29622535 0.70 SOS1 (0.39)
SCHEMBL9978112 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
EP-4087573-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-11-16 EP disclosed
EP-3908283-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2021-11-17 EP disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 US disclosed
WO-2020146613-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-07-16 WO 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-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS EPHX1 2167/4885SCN9A 4363/4885EPHX2 2689/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS EPHX1 2167/4885SCN9A 4363/4885EPHX2 2689/4885

“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.