SCHEMBL19959357

SCHEMBL19959357

CC[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.52
▸ PDK2 Q15119 1/20 0.52
▸ PDK3 Q15120 1/20 0.52
▸ PDK4 Q16654 1/20 0.52
▸ HTR2C P28335 1/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ GPR119 Q8TDV5 1/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ HDAC1 Q13547 1/20 0.43
▸ CACNA1G O43497 1/20 0.42
▸ CACNA1H O95180 1/20 0.42
▸ CACNA1I Q9P0X4 1/20 0.42
▸ AGTR2 P50052 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ NR1H2 P55055 2/20 0.41

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
SCHEMBL29995021 1.00 PDK1 (0.52) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL30554120 0.91 PDK1 (0.52) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL15812061 0.91 PDK1 (0.52) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL19959355 0.91 PDK1 (0.52) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL30554131 0.90 PDK1 (0.51) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL15811763 0.89 PDK1 (0.50) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL28502879 0.87 PDK1 (0.48) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL19964260 0.87 PDK1 (0.48) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL13825887 0.86 PDK1 (0.52) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL29121512 0.86 PDK1 (0.52) PDK1PDK2PDK3PDK4HTR2C

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-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 — — US disclosed
US-20180072723-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2018-03-15 — — 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-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PDK1 981/4885PDK2 2683/4885PDK3 3099/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PDK1 981/4885PDK2 2683/4885PDK3 3099/4885

“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.

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