SCHEMBL23512593

SCHEMBL23512593

CC(C)(C)OC(=O)N1CCN2C(=O)c3cc(F)c(I)c(Cl)c3OC[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 3/20 0.40
HDAC6 Q9UBN7 1/20 0.37
USP30 Q70CQ3 3/20 0.37
TP53 P04637 1/20 0.36
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
SCN9A Q15858 1/20 0.33
PAK1 Q13153 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
DPP4 P27487 1/20 0.32
STS P08842 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MDM2 Q00987 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 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
SCHEMBL26041630 1.00 KRAS (0.40) KRASHDAC6USP30TP53SMARCA2
SCHEMBL23512988 1.00 KRAS (0.40) KRASHDAC6USP30TP53SMARCA2
SCHEMBL23512867 0.92 USP30 (0.40) KRASHDAC6USP30TP53SMARCA2
SCHEMBL23512533 0.92 USP30 (0.40) KRASHDAC6USP30TP53SMARCA2
SCHEMBL26041581 0.89 KRAS (0.40) KRASHDAC6USP30TP53SMARCA2
SCHEMBL29693105 0.89 KRAS (0.40) KRASHDAC6USP30TP53SMARCA2
SCHEMBL23512813 0.89 KRAS (0.40) KRASHDAC6USP30TP53SMARCA2
SCHEMBL23512564 0.88 KRAS (0.45) KRASHDAC6USP30TP53SMARCA2
SCHEMBL23512814 0.88 KRAS (0.45) KRASHDAC6USP30TP53SMARCA2
SCHEMBL23496716 0.85 KRAS (0.41) KRASDPP4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339968-A1 KRAS Gl2C INHIBITORS ELI LILLY AND COMPANY 2023-10-26 US disclosed
US-20230339968-A1 KRAS Gl2C INHIBITORS ELI LILLY AND COMPANY 2023-10-26 US disclosed
WO-2023196887-A1 METHOD OF TREATMENT INCLUDING KRAS G12C INHIBITORS AND AURORA A INHIBITORS ELI LILLY AND COMPANY (US) 2023-10-12 WO disclosed
WO-2023196959-A1 PROCESS FOR MAKING A KRAS G12C INHIBITOR ELI LILLY AND COMPANY (US) 2023-10-12 WO disclosed
US-11731984-B2 KRas G12C inhibitors ELI LILLY AND COMPANY (US) 2023-08-22 US disclosed
US-11731984-B2 KRas G12C inhibitors ELI LILLY AND COMPANY (US) 2023-08-22 US disclosed
US-20210179633-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY 2021-06-17 US disclosed
WO-2021118877-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY (US) 2021-06-17 WO 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 (3 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-20230339968-A1 KRAS Gl2C INHIBITORS KRAS, NRAS, GLS2 KRAS 1/4885HDAC6 1340/4885USP30 3416/4885
US-11731984-B2 KRas G12C inhibitors KRAS, NRAS, HRAS KRAS 1/4885HDAC6 1738/4885USP30 2637/4885
US-20210179633-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885HDAC6 1738/4885USP30 2637/4885

“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.