SCHEMBL22035849

SCHEMBL22035849

CCCN(CC(=O)NC)CC(C)S

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
MCL1 Q07820 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL24173193 1.00 KMT2A (0.31) KMT2AATMMCL1CA12CA2
SCHEMBL20314988 0.86 CA12 (0.35) KMT2AATMMCL1CA12CA2
SCHEMBL22880758 0.83 MCL1 (0.40) KMT2AATMMCL1
SCHEMBL15865786 0.81 CA12 (0.39) MCL1CA12CA2CA9
SCHEMBL16264304 0.77 ALDH1A1 (0.37) KMT2AMCL1CA12CA2CA9
SCHEMBL20755966 0.72 CA1 (0.34) KMT2AATMMCL1CA12CA2
SCHEMBL21610110 0.71 MCL1 (0.32) MCL1CA12CA2CA9
SCHEMBL27000303 0.71 FDPS (0.36) KMT2AMCL1CA12CA2CA9
SCHEMBL20314982 0.71 CA12 (0.38) KMT2AATMMCL1CA12CA2
SCHEMBL20327119 0.70 MCL1 (0.33) KMT2AATMMCL1

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-11053226-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-07-06 US disclosed
US-20200165231-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2020-05-28 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-11053226-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS KMT2A 2069/4885ATM 2171/4885MCL1 159/4885
US-20200165231-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KMT2A 2069/4885ATM 2171/4885MCL1 159/4885

“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.