SCHEMBL22554963

SCHEMBL22554963

O=C(O)N1C[C@@H]2[C@H]1CCN2C(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL22555215 1.00 ESR1 (0.30) ESR1ESR2
SCHEMBL30064998 1.00 ESR1 (0.30) ESR1ESR2
SCHEMBL26120651 0.76 ATM (0.36)
SCHEMBL26125334 0.76 ATM (0.36)
SCHEMBL16765475 0.75 TEAD1 (0.33)
SCHEMBL3572947 0.71 USP30 (0.33) ESR1ESR2
SCHEMBL3580062 0.71 USP30 (0.33) ESR1ESR2
SCHEMBL22555075 0.70 PDK1 (0.47)
SCHEMBL22555142 0.70 PDK1 (0.47)
SCHEMBL23013222 0.69 LMNA (0.45)

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-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 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-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS ESR1 1125/4885ESR2 2407/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS ESR1 1125/4885ESR2 2407/4885

“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.