SCHEMBL502555

SCHEMBL502555

CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
RORC P51449 7/20 0.30
BUB1 O43683 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
SCHEMBL705951 1.00 GRIN2B (0.33) GRIN2BGRIN2CUSP2SMN1; SMN2NR1H2
SCHEMBL6919845 1.00 GRIN2B (0.33) GRIN2BGRIN2CUSP2SMN1; SMN2NR1H2
SCHEMBL15116517 0.88 GRIN2B (0.33) GRIN2BGRIN2CUSP2SMN1; SMN2NR1H2
SCHEMBL15106078 0.85 GRIN2B (0.32) GRIN2BGRIN2CUSP2SMN1; SMN2NR1H2
SCHEMBL15113974 0.85 GRIN2B (0.34) GRIN2BGRIN2CUSP2SMN1; SMN2NR1H2
SCHEMBL25330726 0.85 NR1H2 (0.33) USP2SMN1; SMN2NR1H2NR1H3
SCHEMBL31751009 0.85 NR1H2 (0.33) USP2SMN1; SMN2NR1H2NR1H3
SCHEMBL28371753 0.84 USP2 (0.34) GRIN2BGRIN2CUSP2SMN1; SMN2NR1H2
SCHEMBL10174274 0.84 USP2 (0.34) GRIN2BGRIN2CUSP2SMN1; SMN2NR1H2
SCHEMBL6188259 0.83 USP2 (0.38) GRIN2BGRIN2CUSP2SMN1; SMN2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184532-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-06-14 CN disclosed
CN-113454058-B Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-03-22 CN disclosed
EP-4305038-A1 KRAS G12D INHIBITORS Bristol-Myers Squibb Company (US) 2024-01-17 EP disclosed
EP-4305037-A1 KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2024-01-17 EP disclosed
WO-2023030385-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND AND PREPARATION METHOD AND USE THEREOF 劲方医药科技(上海)有限公司 2023-03-09 WO disclosed
WO-2022192790-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-15 WO disclosed
WO-2022192794-A1 KRAS G12D INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-15 WO disclosed
CN-113454058-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound comprising the same, and method for producing the same 中外制药株式会社 2021-09-28 CN disclosed
US-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS SCHERING CORPORATION 2012-04-12 US disclosed
US-8106070-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-01-31 US disclosed
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-7528124-B2 1,3-dihydro-2H-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-05-05 US disclosed
US-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 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-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS BRS3, GPR119, GIPR GRIN2B 1636/4885GRIN2C 1652/4885USP2 2557/4885
US-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative AVPR1B, AVPR2, AVPR1A GRIN2B 209/4885GRIN2C 657/4885USP2 4131/4885

“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.