SCHEMBL10044352

SCHEMBL10044352

CN(C)C/C=C/C(=O)OCl

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 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
SCHEMBL2132535 0.80 HCAR2 (0.52) HCAR2
SCHEMBL938157 0.80 HCAR2 (0.52) HCAR2
Hydrochloric Acid SCHEMBL2134245 0.78 HCAR2 (0.50) HCAR2
Hydrochloric Acid SCHEMBL2134248 0.78 HCAR2 (0.50) HCAR2
SCHEMBL663907 0.77 HCAR2 (0.52) HCAR2
SCHEMBL663908 0.77 HCAR2 (0.52) HCAR2
SCHEMBL255887 0.77
SCHEMBL692137 0.77
SCHEMBL3706927 0.77
Hydrochloric Acid SCHEMBL28375076 0.76 HCAR2 (0.31) HCAR2

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-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 US disclosed
US-20120046494-A1 METHOD OF PREPARING AN ALKYLAMINE DERIVATIVE KOLON LIFE SCIENCE, INC. (KR) 2012-02-23 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-20120046494-A1 METHOD OF PREPARING AN ALKYLAMINE DERIVATIVE INMT, PNMT, ALKBH2 HCAR2 3189/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HCAR2 4017/4885

“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.