Sugi Predict

Sugi Predict / Compounds / SCHEMBL23298281

SCHEMBL23298281

SCHEMBL23298281

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HTR2C P28335 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30

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
SCHEMBL17611613 1.00 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL17611614 1.00 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL23342647 0.83 CA14 (0.36) CA1CA2CA7CTSSCTSK
SCHEMBL10473405 0.82 MEN1 (0.34) CA1CA2CA7MEN1GAA
SCHEMBL17898137 0.82 MEN1 (0.34) CA1CA2CA7MEN1GAA
SCHEMBL13490197 0.80 HDAC6 (0.36) CA1CA2CA7CTSSCTSK
SCHEMBL23699048 0.79 MME (0.40) CTSSCTSKHTR2CSLC6A4
SCHEMBL23699047 0.79 MME (0.40) CTSSCTSKHTR2CSLC6A4
SCHEMBL17508161 0.79 CYP2D6 (0.33) CA1CA2CA7MEN1GAA
SCHEMBL15597145 0.79 CYP2D6 (0.33) CA1CA2CA7MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 — — US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 — — US disclosed
CN-116209438-A Treatment of malignant diseases with SHP2 mutations using SOS1 inhibitors 锐新医药公司 2023-06-02 — — CN disclosed
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 — — CN disclosed
CN-115873020-A RAS inhibitors 锐新医药公司 2023-03-31 — — CN disclosed
CN-114901366-A RAS inhibitors 锐新医药公司 2022-08-12 — — CN disclosed
US-20210130326-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-05-06 — — 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 (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-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS SLC1A3 4811/4885SLC1A2 4867/4885SLC1A1 4838/4885
US-20210130326-A1 RAS INHIBITORS KRAS, NRAS, HRAS SLC1A3 4843/4885SLC1A2 4881/4885SLC1A1 4869/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR SLC1A3 4345/4885SLC1A2 4607/4885SLC1A1 4588/4885

“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.