SCHEMBL22035541

SCHEMBL22035541

COc1cccc2c1CCN(C(=O)C(C)(C)C)C2

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 3/20 0.63
RIPK1 Q13546 1/20 0.55
AKR1C3 P42330 1/20 0.48
CPT2 P23786 1/20 0.48
CPT1A P50416 1/20 0.48
NOTUM Q6P988 1/20 0.47
HDAC6 Q9UBN7 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
ACACB O00763 2/20 0.45
HSP90B1 P14625 1/20 0.45
TRAP1 Q12931 1/20 0.45
HDAC1 Q13547 1/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL16282734 0.87 ABHD6 (0.61) ABHD6RIPK1AKR1C3CPT2CPT1A
SCHEMBL7007674 0.85 ABHD6 (0.64) ABHD6AKR1C3CPT2CPT1ANOTUM
SCHEMBL1136171 0.82 RIPK1 (0.58) ABHD6RIPK1AKR1C3NOTUMHDAC6
SCHEMBL3167899 0.81 RIPK1 (0.57) ABHD6RIPK1AKR1C3NOTUMHDAC6
SCHEMBL20873627 0.81 ABHD6 (0.63) ABHD6RIPK1AKR1C3CPT2CPT1A
SCHEMBL23817958 0.80 ABHD6 (0.59) ABHD6
SCHEMBL506664 0.78 ABHD6 (0.63) ABHD6AKR1C3NOTUMHDAC6HDAC1
SCHEMBL20983833 0.78 ABHD6 (1.00) ABHD6
SCHEMBL2794349 0.76 RIPK1 (0.82) RIPK1NOTUMHDAC6HDAC8
SCHEMBL23774171 0.76 ABHD6 (0.50) ABHD6AKR1C3NOTUM

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 ABHD6 3647/4885RIPK1 957/4885AKR1C3 3156/4885
US-20200165231-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ABHD6 3647/4885RIPK1 957/4885AKR1C3 3156/4885

“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.