SCHEMBL20326558

SCHEMBL20326558

CC(C)CN(CC(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA12 O43570 4/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 2/20 0.40
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MLYCD O95822 3/20 0.36
CA7 P43166 1/20 0.35
SSTR4 P31391 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL19750797 0.90 CA1 (0.41) CA1CA2CA12CA9CA14
SCHEMBL20315020 0.88 CA14 (0.40) CA1CA2CA12CA9CA14
SCHEMBL8016966 0.88 MME (0.39) CA1CA2CA12CA9CA14
SCHEMBL1246511 0.88 MME (0.39) CA1CA2CA12CA9CA14
SCHEMBL24970035 0.87 CA1 (0.38) CA1CA2CA12CA9CA14
SCHEMBL2862223 0.87 CA1 (0.38) CA1CA2CA12CA9CA14
SCHEMBL24323748 0.87 SSTR4 (0.42) CA1CA2CA12CA9CA14
SCHEMBL20326295 0.87 CA12 (0.39) CA1CA2CA12CA9CA14
SCHEMBL7166457 0.85 CA14 (0.38) CA1CA2CA12CA9CA14
SCHEMBL21877076 0.85 CA14 (0.39) CA1CA2CA12CA14HDAC6

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
EP-4001269-A1 BENZOISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER Amgen Inc. (US) 2022-05-25 EP disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 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 (1 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-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CA1 2659/4885CA2 2465/4885CA12 3290/4885

“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.